SCHEMBL4454772

SCHEMBL4454772

CCc1cccc(POc2ccccc2)c1CC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 1/20 0.34
KCNH2 Q12809 3/20 0.32
SCN5A Q14524 3/20 0.32
CACNA1C Q13936 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LTA4H P09960 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
SCHEMBL4461981 0.81 HPGD (0.38) LTA4H
SCHEMBL4455680 0.79 GABRA1 (0.39) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL4446484 0.78 LTA4H (0.36) LTA4H
SCHEMBL4458013 0.77 GABRA1 (0.38) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL4450212 0.75 GABRA1 (0.35) GABRA1GABRB2TAAR1HTR1AMAPT
SCHEMBL11630937 0.74 GABRA1 (0.44) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL4452192 0.72 TAAR1 (0.36) GABRA1GABRB2TAAR1HTR1AMAPT
SCHEMBL4462062 0.72 TDP1 (0.36) GABRA1GABRB2TAAR1HTR1AMAPT
SCHEMBL4450169 0.70 TAAR1 (0.34) GABRA1GABRB2TAAR1HTR1AMAPT
SCHEMBL9000240 0.69 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2

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