SCHEMBL996150

SCHEMBL996150

CC/C=C/C(C/C=C/C#N)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL996151 1.00 TRPA1 (0.31) TRPA1LMNATSHR
SCHEMBL6987947 0.76 LMNA (0.37) TRPA1LMNATSHR
SCHEMBL6987943 0.76 LMNA (0.37) TRPA1LMNATSHR
SCHEMBL27538153 0.75 LMNA (0.39) TRPA1LMNATSHR
SCHEMBL3440755 0.75 TAAR1 (0.44) TRPA1TSHR
Benzonitrile SCHEMBL27509683 0.69 TSHR (0.54) LMNATSHR
SCHEMBL5855590 0.69 SIGMAR1 (0.39) LMNATSHR
SCHEMBL5855593 0.69 SIGMAR1 (0.39) LMNATSHR
Benzyl Alcohol SCHEMBL7058072 0.68 TSHR (0.52) TRPA1TSHR
SCHEMBL6946458 0.68 LMNA (0.41) TRPA1LMNATSHR

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
EP-2272541-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2263700-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed