SCHEMBL3262111

SCHEMBL3262111

COc1cc[c]c(-c2ccc(O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.52
ABL1 P00519 5/20 0.52
ABCB1 P08183 5/20 0.52
BCR P11274 5/20 0.52
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
APP P05067 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL459934 0.87 CA12 (0.44) ESR2ABL1ABCB1BCRTP53
SCHEMBL5622659 0.84 ACHE (0.45) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL28453013 0.82 ABL1 (0.38) ESR2ABL1ABCB1BCRAPP
SCHEMBL8327622 0.82 MAOB (0.43) TP53KDM4EMEN1MAPTKMT2A
SCHEMBL11205461 0.82 APP (0.39) ABL1ABCB1BCRTP53APP
SCHEMBL6841236 0.82 MEN1 (0.38) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL4468568 0.82 MEN1 (0.40) TP53KDM4EMEN1MAPTKMT2A
SCHEMBL10918406 0.82 CYP11B1 (0.44) ABL1ABCB1BCRKDM4EMEN1
SCHEMBL7033071 0.81 CA4 (0.43) ABCB1TP53KDM4EMEN1MAPT
SCHEMBL4288060 0.81 HSD17B1 (0.44) ESR2ABL1ABCB1BCRTP53

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-0813542-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP claimed
WO-1996009823-A9 HYPOGLYCEMIC AGENT FROM CRYPTOLEPIS 1996-05-23 WO claimed
US-7648811-B2 Branched polyarylene ethers and processes for the preparation thereof XEROX CORPORATION (US) 2010-01-19 US disclosed
US-7396895-B2 Branched polyarylene ethers and processes for the preparation thereof XEROX CORPORATION (US) 2008-07-08 US disclosed
US-20080118853-A1 BRANCHED POLYARYLENE ETHERS AND PROCESSES FOR THE PREPARATION THEREOF XEROX CORPORATION (US) 2008-05-22 US disclosed
US-7067608-B2 Process for preparing branched polyarylene ethers XEROX CORPORATION (US) 2006-06-27 US disclosed
US-20050208416-A1 Branched polyarylene ethers and processes for the preparation thereof XEROX CORPORATION 2005-09-22 US disclosed
US-20050154178-A1 Process for preparing branched polyarylene ethers XEROX CORPORATION 2005-07-14 US disclosed
WO-2001091796-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR TREATING GOUT GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
WO-1996009823-A9 HYPOGLYCEMIC AGENT FROM CRYPTOLEPIS 1996-05-23 WO disclosed