SCHEMBL4455062

SCHEMBL4455062

CCCCc1cccc(POCCC)c1CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
LIPG Q9Y5X9 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
PPARA Q07869 3/20 0.32
BID P55957 3/20 0.31
MCL1 Q07820 3/20 0.31
BCL2L1 Q07817 2/20 0.31
BAK1 Q16611 2/20 0.31
KAT8 Q9H7Z6 2/20 0.31
PPARG P37231 2/20 0.31
EP300 Q09472 1/20 0.31
KAT2A Q92830 1/20 0.31
KAT2B Q92831 1/20 0.31
KAT5 Q92993 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4452177 0.94 PTGS2 (0.36) ALOX5PTGS2LIPGLTB4RLTB4R2
SCHEMBL4452258 0.89 PTGS2 (0.36) ALOX5PTGS2LIPGLTB4RLTB4R2
SCHEMBL4458137 0.87 LTB4R (0.33) LTB4RLTB4R2
SCHEMBL4458101 0.84 LTB4R (0.34) ALOX5PTGS2LTB4RLTB4R2CYP3A4
SCHEMBL4452174 0.84 PTGS2 (0.41) ALOX5PTGS2LIPGPPARABID
SCHEMBL4446484 0.79 LTA4H (0.36) ALOX5PTGS2LIPGLTB4RLTB4R2
SCHEMBL4450212 0.79 GABRA1 (0.35)
SCHEMBL27932041 0.78 LIPG (0.37) ALOX5PTGS2LIPGPPARABID
SCHEMBL4454173 0.78 PTGS2 (0.33) ALOX5PTGS2LIPGPPARA
SCHEMBL27931999 0.77 LIPG (0.36) ALOX5PTGS2LIPGPPARABID

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