SCHEMBL9394002

SCHEMBL9394002

CCC(CCCC(C=O)C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.37
TRPA1 O75762 2/20 0.37
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.32
KCNA5 P22460 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
SCHEMBL23700156 0.78 EPHX1 (0.39) TRPM8TRPA1EPHX1
SCHEMBL23700155 0.78 EPHX1 (0.39) TRPM8TRPA1EPHX1
SCHEMBL10713470 0.77 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL21380222 0.75 EPHX1 (0.43) TRPM8TRPA1EPHX1KCNA5
SCHEMBL29136141 0.75 EPHX1 (0.45) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL7771618 0.75 TRPM8 (0.40) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL11215068 0.74 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL5114601 0.71 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL5114606 0.71 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL2407691 0.71 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1OPRM1

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
WO-1994028872-A1 NON-ALCOHOLIC COLD AND SINUS MEDICATION WARNER-LAMBERT COMPANY (US) 1994-12-22 WO disclosed