SCHEMBL8019588

SCHEMBL8019588

COc1ccc(-c2ccc(C(C)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
ALOX5 P09917 1/20 0.53
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
CASP3 P42574 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL18383081 0.94 LTA4H (0.50) ESR2ALOX5MAPK1RAB9AALDH1A1
SCHEMBL343939 0.93 CA1 (0.55) MAPK1RAB9AALDH1A1TSHRTDP1
SCHEMBL3071819 0.93 CA1 (0.55) MAPK1RAB9AALDH1A1TSHRTDP1
SCHEMBL931283 0.93 CA1 (0.55) MAPK1RAB9AALDH1A1TSHRTDP1
SCHEMBL29510642 0.91 CA1 (0.52) MAPK1RAB9AALDH1A1TSHRTDP1
SCHEMBL18383080 0.87 LTA4H (0.56) MAPK1RAB9AALDH1A1TSHRTDP1
SCHEMBL13486840 0.85 CYP11B1 (0.60) ESR2ALOX5MAPK1RAB9ATSHR
SCHEMBL28774522 0.85 CA1 (0.46) MAPK1RAB9AALDH1A1TSHRTDP1
Sulfuric Acid SCHEMBL22498737 0.83 CA1 (0.51) ALOX5MAPK1RAB9AALDH1A1TSHR
SCHEMBL29861308 0.83 PTPN5 (0.53) ESR2ALDH1A1CYP11B1CYP11B2CYP17A1

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
JP-63107946-A None JP disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
US-5447659-A Hydrolysis of the ester derivative with esterase to form the alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-05 US disclosed
US-5338484-A Optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-16 US disclosed
US-5274168-A Optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-28 US disclosed
EP-0284371-B1 NOVEL OPTICALLY ACTIVE BENZENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND LIQUID-CRYSTALLINE SUBSTANCES CONTAINING SAID DERIVATIVES AS ACTIVE INGREDIENT AND OPTICAL SWITCHING ELEMENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-16 EP disclosed
US-5002693-A Novel optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-26 US disclosed
JP-S63107946-A OPTICALLY ACTIVE BIPHENYL DERIVATIVE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1988-05-12 JP disclosed
US-4191776-A ANTITHROMBOTICS, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DE) 1980-03-04 US disclosed
US-3993683-A ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-23 US disclosed