SCHEMBL4458037

SCHEMBL4458037

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.32
ALOX5 P09917 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
MAOA P21397 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30

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
SCHEMBL4454286 0.94 MEN1 (0.38) CNR1CNR2MEN1KMT2A
SCHEMBL4448724 0.89 MEN1 (0.31) MEN1KMT2A
SCHEMBL4456055 0.87 LIPG (0.34) CNR1CNR2CYSLTR2CYSLTR1
SCHEMBL4458041 0.87 ALOX5 (0.33) PTGS2ALOX5PPARABIDMCL1
SCHEMBL4460866 0.83 MEN1 (0.44) PTGS2ALOX5PPARABIDMCL1
SCHEMBL4458061 0.83 MEN1 (0.36) PPARAPPARGMEN1KMT2A
SCHEMBL4460811 0.81 PTGS2 (0.39) PTGS2ALOX5PPARABIDMCL1
SCHEMBL4458091 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL4454288 0.81 MEN1 (0.39) PTGS2ALOX5CNR1CNR2MEN1
SCHEMBL4454572 0.81 CNR1 (0.39) CNR1CNR2MEN1KMT2A

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