SCHEMBL15972256

SCHEMBL15972256

CC1CCC(C(C)C)CC1.CCC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.33
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 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
SCHEMBL1760669 0.84 TRPA1 (0.39) TRPA1TRPM8
SCHEMBL452781 0.84 TRPA1 (0.39) TRPA1TRPM8
SCHEMBL7979 0.84 TRPA1 (0.39) TRPA1TRPM8
Alcohol SCHEMBL1827505 0.83 TRPM8 (0.37) SHBGTRPA1TRPM8
Ethylamine SCHEMBL27798592 0.83 TRPA1 (0.32) SHBGTRPA1TRPM8
Charcoal, Activated SCHEMBL4530459 0.82 TRPA1 (0.37) TRPA1TRPM8
Ammonia Solution, Strong SCHEMBL5944185 0.82 TRPA1 (0.37) TRPA1TRPM8
Hydrochloric Acid SCHEMBL6863594 0.82 TRPA1 (0.37) TRPA1TRPM8
Calcium SCHEMBL31756866 0.82 TRPA1 (0.37) TRPA1TRPM8
Water SCHEMBL2851760 0.82 TRPA1 (0.37) TRPA1TRPM8

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-2958670-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2015-12-30 EP disclosed
WO-2014128283-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-28 WO disclosed