SCHEMBL4452192

SCHEMBL4452192

CCc1cccc(POC2CC2)c1CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
HTR1A P08908 1/20 0.33
CTSB P07858 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4450169 0.94 TAAR1 (0.34) TAAR1GABRA1GABRB2HTR1AMAPT
SCHEMBL4458013 0.80 GABRA1 (0.38) TAAR1GABRA1GABRB2HTR1AMAPT
SCHEMBL4455680 0.78 GABRA1 (0.39) TAAR1GABRA1GABRB2HTR1AMAPT
SCHEMBL4454847 0.76
SCHEMBL4451710 0.74 ALOX5 (0.32)
SCHEMBL4450212 0.73 GABRA1 (0.35) TAAR1GABRA1GABRB2HTR1AMAPT
SCHEMBL11630937 0.73 GABRA1 (0.44) TAAR1GABRA1GABRB2HTR1AMAPT
SCHEMBL4454772 0.72 GABRA1 (0.34) TAAR1GABRA1GABRB2HTR1AMAPT
SCHEMBL4462062 0.71 TDP1 (0.36) TAAR1GABRA1GABRB2HTR1AMAPT
SCHEMBL4462042 0.69 HTR2C (0.36) MAPT

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