SCHEMBL4449253

SCHEMBL4449253

CCCCc1ccccc1OP(=O)(Oc1ccccc1CCCC)c1cccc(CCC)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
HIF1A Q16665 1/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL4452131 0.97 LTB4R (0.43) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4454779 0.95 LTB4R (0.39) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4460502 0.95 LTB4R (0.41) LTB4RLTB4R2THRATHRBHIF1A
SCHEMBL4462323 0.91 PTGS2 (0.38) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4451705 0.91 LTB4R (0.38) LTB4RLTB4R2HIF1APPARD
SCHEMBL4451255 0.90 LTB4R (0.43) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4462344 0.88 THRA (0.39) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4449254 0.87 LTB4R (0.44) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4449164 0.87 LTB4R (0.43) LTB4RLTB4R2THRATHRBALOX5
SCHEMBL4449869 0.85 LTB4R (0.38) LTB4RLTB4R2THRATHRBHIF1A

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