SCHEMBL4459849

SCHEMBL4459849

CCCCc1cccc(OP(=O)(O)CCCC)c1CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
CETP P11597 4/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARG P37231 2/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL4448711 0.94 ALOX5 (0.41) PPARACETPLTB4RLTB4R2ALOX5
SCHEMBL4453741 0.92 LTB4R (0.44) PPARACETPLTB4RLTB4R2ALOX5
SCHEMBL4459873 0.90 ALOX5 (0.42) PPARACETPLTB4RLTB4R2ALOX5
SCHEMBL4454722 0.90 PPARA (0.38) PPARACETPLTB4RLTB4R2ALOX5
SCHEMBL4450349 0.89 ALOX5 (0.37) PPARACETPLTB4RLTB4R2ALOX5
SCHEMBL385368 0.87 INPPL1 (0.46) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4454814 0.86 CETP (0.44) PPARACETPALOX5PTGS2PPARG
SCHEMBL4459847 0.86 ALOX5 (0.40) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4458121 0.86 ALOX5 (0.43) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4451542 0.85 ALOX5 (0.39) PPARACETPLTB4RLTB4R2ALOX5

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