SCHEMBL4454807

SCHEMBL4454807

CCCCc1cccc(OP(=O)(Oc2cccc(CCCC)c2CCCC)c2ccccc2C)c1CCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
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
MAPT P10636 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4453555 0.92 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4454706 0.91 LTB4R (0.39) LTB4RLTB4R2HIF1AMAPTCYP1A2
SCHEMBL4452104 0.91 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4449164 0.90 LTB4R (0.43) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4454808 0.87 PPARA (0.40) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4451255 0.87 LTB4R (0.43) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL11125291 0.87 PPARA (0.44) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL4454779 0.86 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4462323 0.85 PTGS2 (0.38) LTB4RLTB4R2PTGS2ALOX5HIF1A
SCHEMBL4454792 0.84 MAPT (0.40) PTGS2ALOX5HIF1APPARATHRA

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