SCHEMBL9109699

SCHEMBL9109699

CB(C)c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
ATM Q13315 1/20 0.44
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 5/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ADRB1 P08588 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CD44 P16070 1/20 0.33
MAPT P10636 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL30314457 0.81 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL8596451 0.81 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL12270904 0.80 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL29479067 0.79 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL309076 0.79 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL187525 0.78 TSHR (0.50) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL4947809 0.77 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL9945888 0.75 ACHE (0.39) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL28832409 0.75 ACHE (0.39) ACHEALDH1A1SMN1; SMN2NFE2L2
SCHEMBL5951494 0.73 TRPA1 (0.39) TRPA1ATMCYP2A6CYP1A2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2540759-B1 Thermosetting resin composition and cured product of the same DAINIPPON INK & CHEMICALS (JP) 2014-08-06 EP disclosed
CN-102449069-B Thermosetting resin composite and cured product thereof DAINIPPON INK & CHEMICALS 2014-02-12 CN disclosed
US-8470913-B2 Thermosetting resin composition and cured product of the same DIC CORPORATION (JP) 2013-06-25 US disclosed
EP-2540759-A2 Thermosetting resin composition and cured product of the same DIC Corporation (JP) 2013-01-02 EP disclosed
US-20120142829-A1 THERMOSETTING RESIN COMPOSITION AND CURED PRODUCT OF THE SAME DIC CORPORATION (JP) 2012-06-07 US disclosed
CN-102449069-A Thermosetting resin composite and cured product thereof DAINIPPON INK & CHEMICALS 2012-05-09 CN disclosed