SCHEMBL4458117

SCHEMBL4458117

CCCCc1cccc(OP(C)(=O)Oc2cccc(CCCC)c2CCCC)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
PPARA Q07869 3/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
PPARG P37231 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34
KAT8 Q9H7Z6 2/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT5 Q92993 1/20 0.34
SAE1 Q9UBE0 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
SCHEMBL385367 0.89 ALOX5 (0.43) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL4458121 0.88 ALOX5 (0.43) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL4460756 0.87 LTB4R (0.41) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL385368 0.86 INPPL1 (0.46) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL4459871 0.86 ALOX5 (0.41) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL4459847 0.85 ALOX5 (0.40) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL4448709 0.85 PTGS2 (0.40) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL766607 0.84 PTGS2 (0.49) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL4459873 0.84 ALOX5 (0.42) ALOX5PTGS2PPARALTB4RLTB4R2
SCHEMBL10353669 0.83 PPARA (0.49) ALOX5PTGS2PPARALTB4RLTB4R2

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