SCHEMBL3940648

SCHEMBL3940648

Cc1cccc([C]N)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 4/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CD44 P16070 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 2/20 0.36
ACHE P22303 1/20 0.36
HTR2C P28335 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PIK3CA P42336 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7393891 0.79
SCHEMBL1141210 0.79 TRPA1 (0.46) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL8435571 0.77 TRPA1 (0.44) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL1312250 0.75 CYP3A4 (0.43) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL1609500 0.75 TRPA1 (0.42) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL5974541 0.75 TRPA1 (0.42) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL29941499 0.75 TSHR (0.65) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL1611863 0.75 TRPA1 (0.42) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL102574 0.75 TSHR (0.65) TRPA1ATMTSHRCYP1A2CYP2A6
Hydrochloric Acid SCHEMBL20840273 0.73 TSHR (0.62) TRPA1ATMTSHRCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544721-B2 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2009-06-09 US disclosed
US-20050182148-A1 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2005-08-18 US disclosed
EP-0005334-A1 Electrophotographic toner composition XEROX CORPORATION (US) 1979-11-14 EP disclosed