SCHEMBL4454781

SCHEMBL4454781

CCCCc1ccccc1OP(=O)(O)c1cccc(CCCC)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PTK2B Q14289 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 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) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4462328 0.96 ALOX5 (0.39) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4449254 0.95 LTB4R (0.44) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4453965 0.92 ALOX5 (0.38) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4462346 0.91 THRA (0.40) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4453557 0.90 LTB4R (0.40) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4460503 0.89 LTB4R (0.42) THRATHRBLTB4RLTB4R2HIF1A
SCHEMBL4452106 0.88 LTB4R (0.40) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4454808 0.87 PPARA (0.40) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4454793 0.87 THRA (0.39) THRATHRBLTB4RLTB4R2ALOX5

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