SCHEMBL4452174

SCHEMBL4452174

CCCCc1cccc(POC)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
ALOX5 P09917 1/20 0.41
PPARA Q07869 3/20 0.36
LIPG Q9Y5X9 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARG P37231 2/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT5 Q92993 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32

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
SCHEMBL4452341 0.86 ALOX5 (0.33) PTGS2ALOX5ELANE
SCHEMBL4452258 0.85 PTGS2 (0.36) PTGS2ALOX5PPARALIPGBID
SCHEMBL4452177 0.84 PTGS2 (0.36) PTGS2ALOX5PPARALIPGBID
SCHEMBL4455062 0.84 ALOX5 (0.36) PTGS2ALOX5PPARALIPGBID
SCHEMBL4446484 0.81 LTA4H (0.36) PTGS2ALOX5PPARALIPGBID
SCHEMBL27932041 0.81 LIPG (0.37) PTGS2ALOX5PPARALIPGBID
SCHEMBL4454173 0.80 PTGS2 (0.33) PTGS2ALOX5PPARALIPG
SCHEMBL27931999 0.79 LIPG (0.36) PTGS2ALOX5PPARALIPGBID
SCHEMBL4451710 0.78 ALOX5 (0.32) PTGS2ALOX5
SCHEMBL27932318 0.78 LIPG (0.35) PTGS2ALOX5PPARALIPGBID

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