SCHEMBL5994468

SCHEMBL5994468

COC(=O)c1ccc2cc(C(=O)OC)c(S(=O)(=O)[O-])cc2c1.[Na+]

nearest known ligand 0.46

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
THRB known ✓ P10828 1/20 0.44
CA12 known ✓ O43570 1/20 0.41
CA1 known ✓ P00915 1/20 0.41
CA2 known ✓ P00918 1/20 0.41
XDH known ✓ P47989 1/20 0.41
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 3/20 0.46
PTPN11 Q06124 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
LCK P06239 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
SCHEMBL2936693 0.86 LCK (0.49) KDM4EHSD17B10PTPN11SMN1; SMN2ALDH1A1
SCHEMBL5994473 0.84 LCK (0.48) KDM4EHSD17B10PTPN11SMN1; SMN2ALDH1A1
SCHEMBL3341066 0.84 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1868221 0.84 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL30151494 0.82 PTPN11 (0.58) KDM4EHSD17B10PTPN11SMN1; SMN2ALDH1A1
Potassium Ion SCHEMBL1863797 0.81 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL4606537 0.81 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL4604662 0.81 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL4605912 0.81 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL2936314 0.79 LCK (0.51) KDM4EHSD17B10PTPN11SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4748986-A1 CHENILLE YARN, FABRIC, AND CLOTHING PRODUCT Teijin Frontier Co., Ltd. (JP) 2026-05-27 EP disclosed
WO-2025018376-A1 CHENILLE YARN, FABRIC, AND CLOTHING PRODUCT 帝人フロンティア株式会社 2025-01-23 WO disclosed
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
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-0921217-B1 FIBER HAVING OPTICAL INTERFERENCE FUNCTION AND ITS UTILIZATION TEIJIN LTD (JP) 2003-12-03 EP disclosed
US-6430348-B1 FLAT; POLYMER ALTERNATING LAMINATED MULTILAYER TEIJIN LIMITED (JP) 2002-08-06 US disclosed
EP-0921217-A1 FIBER HAVING OPTICAL INTERFERENCE FUNCTION AND ITS UTILIZATION TEIJIN LIMITED (JP) 1999-06-09 EP disclosed