SCHEMBL4458041

SCHEMBL4458041

CCCCc1cccc(P(=O)(O)OC2CC2)c1CCCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARA Q07869 3/20 0.33
PLA2G2D Q9UNK4 1/20 0.32
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
MAOA P21397 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL4454288 0.94 MEN1 (0.39) ALOX5PTGS2CNR1CNR2ALDH1A1
SCHEMBL4448725 0.90 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL4458037 0.87 PTGS2 (0.32) ALOX5PTGS2PPARABIDMCL1
SCHEMBL4460867 0.84 ALDH1A1 (0.45) ALOX5PTGS2PPARAPLA2G2DBID
SCHEMBL4458064 0.84 NPSR1 (0.37) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL4458095 0.82 GABRA1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL4460813 0.82 ALOX5 (0.40) ALOX5PTGS2PPARAPLA2G2DBID
SCHEMBL4454286 0.81 MEN1 (0.38) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL4451489 0.80 PLA2G2D (0.44) ALOX5PTGS2PPARAPLA2G2DBID
SCHEMBL4448583 0.80 PLA2G2D (0.46) PLA2G2DALDH1A1HIF1A

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