SCHEMBL2933231

SCHEMBL2933231

CCOc1ccc(OCC)c(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.57

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 17)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.46
CA1 known ✓ P00915 1/20 0.46
CA2 known ✓ P00918 1/20 0.46
TSHR P16473 2/20 0.57
ALDH1A1 P00352 6/20 0.57
ALPL P05186 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL34468880 0.81 TSHR (0.58) TSHRALDH1A1ALPLGAAL3MBTL1
SCHEMBL1603107 0.78 CA1 (0.40) TSHRALDH1A1GAACA12CA1
SCHEMBL28109374 0.74 CA12 (0.66) TSHRALDH1A1GAAL3MBTL1CA12
Potassium Ion SCHEMBL31286211 0.74 CA1 (0.40) TSHRALDH1A1GAACA12CA1
Potassium Ion SCHEMBL9360690 0.74 CA1 (0.40) TSHRALDH1A1GAACA12CA1
SCHEMBL4757503 0.74 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1CA12CA1
SCHEMBL3754232 0.72 TSHR (0.58) TSHRALDH1A1GAASMN1; SMN2LMNA
SCHEMBL17924007 0.72 SMN1; SMN2 (0.58) TSHRALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL2498271 0.72 NQO1 (0.59) TSHRALDH1A1GAAL3MBTL1KMT2A
SCHEMBL29657372 0.72 NQO1 (0.59) TSHRALDH1A1GAAL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492390-B1 POLYESTER FIBERS, PROCESS FOR PRODUCTION OF THE POLYESTER FIBERS, CLOTH, AND FIBER PRODUCT TEIJIN FRONTIER CO LTD (JP) 2018-06-06 EP disclosed
US-9334608-B2 Polyester fiber, method for producing the same, cloth, textile product, and polyester formed article TEIJIN FRONTIER CO., LTD. (JP) 2016-05-10 US disclosed
EP-2492390-A1 POLYESTER FIBERS, PROCESS FOR PRODUCTION OF THE POLYESTER FIBERS, CLOTH, FIBER PRODUCT, AND POLYESTER MOLDED ARTICLE Teijin Fibers Limited (JP) 2012-08-29 EP disclosed
US-20120207955-A1 POLYESTER FIBER, METHOD FOR PRODUCING THE SAME, CLOTH, TEXTILE PRODUCT, AND POLYESTER FORMED ARTICLE TEIJIN FIBERS LIMITED (JP) 2012-08-16 US disclosed
EP-1643019-B1 POLYETHER ESTER ELASTIC FIBER AND FABRICS AND CLOTHES MADE BY USING THE SAME TEIJIN FIBERS LTD (JP) 2010-09-22 EP disclosed
US-20060177655-A1 Polyether ester elastic fiber and fabric, clothes made by using the same TEIJIN FIBERS LIMITED (JP) 2006-08-10 US disclosed
EP-1643019-A1 POLYETHER ESTER ELASTIC FIBER AND FABRICS AND CLOTHES MADE BY USING THE SAME Teijin Fibers Limited (JP) 2006-04-05 EP disclosed