SCHEMBL1102386

SCHEMBL1102386

CCCCCCCCCCCCCCCCc1cc(C)sc1-c1cc2c(CCC)c3sc(-c4sc(C)cc4CCCCCCCCCCCCCCCC)cc3c(CCC)c2s1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.33
TYR P14679 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1102379 0.97 GPR35 (0.34) GPR35TYRMEN1TP53CYP3A4
SCHEMBL1102380 0.97 GPR35 (0.34) GPR35TYRMEN1TP53CYP3A4
SCHEMBL12857932 0.92 GPR35 (0.33) GPR35TYRMEN1TP53CYP3A4
SCHEMBL1102383 0.87 GPR35 (0.31) GPR35
SCHEMBL12857934 0.86 TYR (0.35) GPR35TYRMEN1TP53CYP3A4
SCHEMBL1102381 0.85 GPR35 (0.33) GPR35ALOX5
SCHEMBL1102384 0.84 TYR (0.34) GPR35TYRMEN1TP53CYP3A4
SCHEMBL1102389 0.84 GPR35 (0.33) GPR35TYRMEN1TP53CYP3A4
SCHEMBL14997964 0.84 GPR35 (0.30) GPR35
SCHEMBL1102390 0.82 TYMP (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 6 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
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