SCHEMBL4449164

SCHEMBL4449164

CCCCc1cccc(OP(=O)(Oc2cccc(CCCC)c2CCCC)c2ccccc2CCC)c1CCCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
PTGS2 P35354 3/20 0.37
ALOX5 P09917 1/20 0.37
HIF1A Q16665 1/20 0.36
PPARA Q07869 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32

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
SCHEMBL4451255 0.97 LTB4R (0.43) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4453555 0.97 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4452104 0.93 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL11125291 0.92 PPARA (0.44) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL4458068 0.92 LTB4R (0.41) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4452131 0.90 LTB4R (0.43) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4454807 0.90 LTB4R (0.38) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4451592 0.88 PTGS2 (0.38) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4452085 0.88 LTB4R (0.40) LTB4RLTB4R2HIF1APPARDELANE
SCHEMBL4449167 0.87 LTB4R (0.44) LTB4RLTB4R2PTGS2ALOX5HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed