SCHEMBL4452258

SCHEMBL4452258

CCCCc1cccc(POCC)c1CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
LIPG Q9Y5X9 1/20 0.33
PPARA Q07869 3/20 0.33
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PPARG P37231 2/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT5 Q92993 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL4455062 0.89 ALOX5 (0.36) PTGS2ALOX5LIPGPPARABID
SCHEMBL4452177 0.89 PTGS2 (0.36) PTGS2ALOX5LIPGPPARABID
SCHEMBL4460825 0.87 ELANE (0.32) LTB4RLTB4R2
SCHEMBL4452174 0.85 PTGS2 (0.41) PTGS2ALOX5LIPGPPARABID
SCHEMBL4454173 0.82 PTGS2 (0.33) PTGS2ALOX5LIPGPPARA
SCHEMBL4446484 0.80 LTA4H (0.36) PTGS2ALOX5LIPGPPARABID
SCHEMBL27932041 0.80 LIPG (0.37) PTGS2ALOX5LIPGPPARABID
SCHEMBL4458101 0.79 LTB4R (0.34) PTGS2ALOX5CYP3A4CYP2C9LTB4R
SCHEMBL27931999 0.78 LIPG (0.36) PTGS2ALOX5LIPGPPARABID
SCHEMBL4451710 0.77 ALOX5 (0.32) PTGS2ALOX5

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