SCHEMBL995558

SCHEMBL995558

CCCCCCc1c2cc(Br)sc2c(CCCCCC)c2cc(Br)sc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.43
PTGS2 P35354 2/20 0.35
ALOX5 P09917 5/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SRC P12931 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL14706992 1.00 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL3842117 1.00 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL337083 1.00 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL17794012 0.94 GPR35 (0.40) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL991738 0.93 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL2679142 0.93 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL3371736 0.91 GPR35 (0.41) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL14882940 0.87 GPR35 (0.40) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL23812254 0.84 ACE2 (0.35) GPR35
SCHEMBL16323051 0.84 LMNA (0.33) GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153755-B2 Electronic devices XEROX CORPORATION (US) 2012-04-10 US disclosed
US-20110034668-A1 ELECTRONIC DEVICES XEROX CORPORATION (US) 2011-02-10 US disclosed
EP-1916250-B1 Electronic devices comprising poly(dithienyl-benzodithiophenes) as semiconductors XEROX CORP (US) 2011-01-05 EP disclosed
US-7834132-B2 Electronic devices XEROX CORPORATION (US) 2010-11-16 US disclosed
US-7820782-B2 Poly(dithienylbenzo[1,2-b:4,5-b′]dithiophene) polymers XEROX CORPORATION (US) 2010-10-26 US disclosed
US-20080102559-A1 Electronic devices XEROX CORPORATION 2008-05-01 US disclosed
US-20080103286-A1 Poly(dithienylbenzo[1,2-B:4,5-B']dithiophene) polymers XEROX CORPORATION 2008-05-01 US disclosed
EP-1916250-A1 Electronic devices comprising poly(dithienyl-benzodithiophenes) as semiconductors Xerox Corporation (US) 2008-04-30 EP disclosed