SCHEMBL3198496

SCHEMBL3198496

CCCCOC(=O)CC(=O)[O-].[Na+]

nearest known ligand 0.50

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 13)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.46
FAAH O00519 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.50
ATM Q13315 1/20 0.47
DGKA P23743 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 1/20 0.42
ACHE P22303 6/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
Potassium Ion SCHEMBL3196365 0.96 FAAH (0.50) FAAHALDH1A1NAAAATMCA1
Lithium Ion SCHEMBL3187643 0.96 FAAH (0.50) FAAHALDH1A1NAAAATMCA1
SCHEMBL3200908 0.96 FAAH (0.50) FAAHALDH1A1NAAAATMCA1
SCHEMBL3191245 0.96 FAAH (0.50) FAAHALDH1A1NAAAATMCA1
SCHEMBL3192696 0.94 NAAA (0.59) FAAHNAAACA1DGKATSHR
SCHEMBL29046183 0.92 NAAA (0.62) FAAHNAAADGKATSHRRAD52
SCHEMBL28315660 0.92 NAAA (0.62) FAAHNAAADGKATSHRRAD52
SCHEMBL10344143 0.92 NAAA (0.62) FAAHNAAADGKATSHRRAD52
SCHEMBL3199203 0.92 NAAA (0.62) FAAHNAAADGKATSHRRAD52
SCHEMBL28316453 0.92 NAAA (0.62) FAAHNAAADGKATSHRRAD52

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024234623-A1 FLUORINE-CONTAINING POLYMER, CONDUCTIVE PASTE, NEGATIVE POLE PIECE, SECONDARY BATTERY, AND ELECTRONIC APPARATUS 宁德时代新能源科技股份有限公司 2024-11-21 WO claimed
WO-2024234623-A1 FLUORINE-CONTAINING POLYMER, CONDUCTIVE PASTE, NEGATIVE POLE PIECE, SECONDARY BATTERY, AND ELECTRONIC APPARATUS 宁德时代新能源科技股份有限公司 2024-11-21 WO disclosed
US-7674330-B2 Ink and ink-jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2010-03-09 US disclosed
US-20080282930-A1 INK AND INK-JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-20 US disclosed