SCHEMBL4450212

SCHEMBL4450212

CCCOPc1cccc(CC)c1CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
TAAR1 Q96RJ0 2/20 0.35
HTR1A P08908 1/20 0.35
PDK2 Q15119 1/20 0.33
NR1I2 O75469 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4462062 0.90 TDP1 (0.36) GABRA1GABRB2TAAR1HTR1APDK2
SCHEMBL4458013 0.86 GABRA1 (0.38) GABRA1GABRB2TAAR1HTR1APDK2
SCHEMBL4458137 0.81 LTB4R (0.33)
SCHEMBL4455680 0.80 GABRA1 (0.39) GABRA1GABRB2TAAR1HTR1APDK2
SCHEMBL4455062 0.79 ALOX5 (0.36)
SCHEMBL11630937 0.75 GABRA1 (0.44) GABRA1GABRB2TAAR1HTR1APDK2
SCHEMBL4454772 0.75 GABRA1 (0.34) GABRA1GABRB2TAAR1HTR1AMAPT
SCHEMBL4452192 0.73 TAAR1 (0.36) GABRA1GABRB2TAAR1HTR1AMAPT
SCHEMBL4458101 0.72 LTB4R (0.34) ALDH1A1
SCHEMBL4452177 0.72 PTGS2 (0.36)

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