SCHEMBL4451396

SCHEMBL4451396

CCCCOPc1cccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.34
PTGES O14684 4/20 0.34
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 2/20 0.33
HTR1B P28222 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
TLR8 Q9NR97 2/20 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
SCHEMBL4458070 0.89 HTR1B (0.35) MAPTHTR1BKDM4EGAATRPA1
SCHEMBL4462607 0.82 TRPA1 (0.35) MAPTSMN1; SMN2HTR1BCYP1A2GAA
SCHEMBL28045051 0.77 TRPA1 (0.34) MAPTSMN1; SMN2CYP1A2GAATSHR
SCHEMBL4452177 0.76 PTGS2 (0.36) ALOX5PPARGPPARALTA4HCYP2C9
SCHEMBL28227589 0.75 TLR8 (0.35) MAPTSMN1; SMN2GAATSHRTRPA1
SCHEMBL28045054 0.74 CNR1 (0.37) TRPA1ATMTLR8
SCHEMBL28045144 0.74 CNR1 (0.37) TRPA1ATMTLR8
SCHEMBL4462062 0.73 TDP1 (0.36) MAPTLTA4HTSHRTDP1L3MBTL1
SCHEMBL10706760 0.72 LTA4H (0.47) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4454265 0.71 TRPA1 (0.39) MAPTSMN1; SMN2HTR1BCYP1A2TSHR

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