SCHEMBL4451592

SCHEMBL4451592

CCCCc1ccccc1P(=O)(Oc1cccc(CC)c1CC)Oc1cccc(CC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
HIF1A Q16665 1/20 0.37
PPARA Q07869 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ELANE P08246 1/20 0.33
CTSG P08311 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
SCHEMBL4451168 0.92 LTB4R (0.35) PTGS2ALOX5HIF1ALTB4RLTB4R2
SCHEMBL4453555 0.90 LTB4R (0.39) PTGS2ALOX5HIF1APPARATHRA
SCHEMBL4452104 0.89 LTB4R (0.39) PTGS2ALOX5HIF1APPARATHRA
SCHEMBL4462344 0.89 THRA (0.39) PTGS2ALOX5HIF1APPARATHRA
SCHEMBL4458097 0.89 L3MBTL1 (0.37) HIF1A
SCHEMBL4451255 0.88 LTB4R (0.43) PTGS2ALOX5HIF1APPARATHRA
SCHEMBL4449164 0.88 LTB4R (0.43) PTGS2ALOX5HIF1APPARATHRA
SCHEMBL4451594 0.87 ALOX5 (0.39) PTGS2ALOX5HIF1APPARATHRA
SCHEMBL11125291 0.85 PPARA (0.44) PTGS2ALOX5PPARATHRATHRB
SCHEMBL4462323 0.84 PTGS2 (0.38) 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