SCHEMBL4217684

SCHEMBL4217684

CN(C)c1ccccc1C(=O)[O-].[Na+]

nearest known ligand 0.67

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.41
▸ CA4 known ✓ P22748 1/20 0.41
▸ THRB known ✓ P10828 1/20 0.36
▸ PTGS2 known ✓ P35354 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.67
▸ MAPT P10636 5/20 0.67
▸ GAA P10253 4/20 0.67
▸ TSHR P16473 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ TP53 P04637 1/20 0.67
▸ KDM4E B2RXH2 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CNR2 P34972 2/20 0.47
▸ KMT2A Q03164 3/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Zinc Ion SCHEMBL6943683 0.96 ALDH1A1 (0.67) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL147847 0.81 ALDH1A1 (0.69) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL4552496 0.81 MAPT (0.49) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL1227388 0.80 MAPT (1.00) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL12506468 0.80 MAPT (0.75) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL9175776 0.78 MAPT (0.72) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL29414291 0.78 GAA (0.95) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL10433697 0.78 GAA (0.95) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL4213821 0.78 ALDH1A1 (0.72) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL15240 0.78 ALDH1A1 (0.72) ALDH1A1MAPTGAATSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115287715-A Production process of double-optical copper foil for medium-tensile-strength lithium battery 广东盈华电子科技有限公司 2022-11-04 — — CN claimed
CN-115287715-A Production process of double-optical copper foil for medium-tensile-strength lithium battery 广东盈华电子科技有限公司 2022-11-04 — — CN disclosed
US-9664679-B2 Lateral flow and flow-through bioassay devices based on patterned porous media, methods of making same, and methods of using same PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-30 — — US disclosed
US-20160274105-A1 Lateral Flow and Flow-through Bioassay Devices Based on Patterned Porous Media, Methods of Making Same, and Methods of Using Same PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-09-22 — — US disclosed
US-9193988-B2 Lateral flow and flow-through bioassay devices based on patterned porous media, methods of making same, and methods of using same PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-24 — — US disclosed
EP-2076775-B1 LATERAL FLOW AND FLOW-THROUGH BIOASSAY BASED ON PATTERNED POROUS MEDIA, METHODS OF MAKING SAME, AND METHODS OF USING SAME HARVARD COLLEGE (US) 2015-08-19 — — EP disclosed
US-20140234881-A1 LATERAL FLOW AND FLOW-THROUGH BIOASSAY DEVICES BASED ON PATTERNED POROUS MEDIA, METHODS OF MAKING SAME, AND METHODS OF USING SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-21 — — US disclosed
US-8603832-B2 Lateral flow and flow-through bioassay devices based on patterned porous media, methods of making same, and methods of using same PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-12-10 — — US disclosed
US-20130128036-A1 Lateral Flow and Flow-through Bioassay Devices Based on Patterned Porous Media, Methods of Making Same, and Methods of Using Same PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-05-23 — — US disclosed
US-8377710-B2 Lateral flow and flow-through bioassay devices based on patterned porous media, methods of making same, and methods of using same PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-19 — — US disclosed
US-20090298191-A1 Lateral Flow and Flow-through Bioassay Devices Based On Patterned Porous Media, Methods of Making Same, and Methods of Using Same PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-03 — — US disclosed
EP-2076775-A2 LATERAL FLOW AND FLOW-THROUGH BIOASSAY BASED ON PATTERNED POROUS MEDIA, METHODS OF MAKING SAME, AND METHODS OF USING SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-07-08 — — EP disclosed
WO-2008049083-A2 LATERAL FLOW AND FLOW-THROUGH BIOASSAY BASED ON PATTERNED POROUS MEDIA, METHODS OF MAKING SAME, AND METHODS OF USING SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-04-24 — — WO disclosed
EP-0457214-A2 Method and reagent composition for the determination of alanine aminotransferase and HBsAg antigen in the same biological specimen SCLAVO S.p.A. (IT) 1991-11-21 — — EP disclosed
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