SCHEMBL8093976

SCHEMBL8093976

CC(C)C1C[C@H](O)C(C)C[C@H]1CCl

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
MAPT P10636 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
SCHEMBL8088738 1.00 TRPA1 (0.38) TRPA1TRPM8MAPT
SCHEMBL8183431 1.00 TRPA1 (0.38) TRPA1TRPM8MAPT
SCHEMBL17675803 0.79
(-)-(1S,3R,4S,6S)-6-Hydroxymenthol SCHEMBL7043768 0.74 TRPA1 (0.52) TRPA1TRPM8
SCHEMBL12166614 0.70 TRPA1 (0.46) TRPA1TRPM8
SCHEMBL6884434 0.68
SCHEMBL6883369 0.68
SCHEMBL6757980 0.68
SCHEMBL6757966 0.68
SCHEMBL6758020 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162932-A Stereoselective synthesis of endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-19 US disclosed