SCHEMBL4449254

SCHEMBL4449254

CCCCc1ccccc1OP(=O)(O)c1cccc(CCC)c1CCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PTK2B Q14289 1/20 0.35

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
SCHEMBL4452137 0.97 LTB4R (0.44) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4454781 0.95 THRA (0.40) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4460503 0.95 LTB4R (0.42) LTB4RLTB4R2THRATHRBHIF1A
SCHEMBL4462328 0.91 ALOX5 (0.39) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4451708 0.91 LTB4R (0.39) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4451256 0.90 LTB4R (0.44) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4462346 0.89 THRA (0.40) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4453965 0.88 ALOX5 (0.38) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4449167 0.88 LTB4R (0.44) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4449253 0.87 LTB4R (0.43) LTB4RLTB4R2THRATHRBALOX5

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