SCHEMBL12468

SCHEMBL12468

CC1CCC(OC(C)C)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 2/20 0.32

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
SCHEMBL10136547 0.81
SCHEMBL25485404 0.80
SCHEMBL25485409 0.80
SCHEMBL18844149 0.78 TRPA1 (0.32) TRPA1TRPM8ALDH1A1EPHX1
Ammonia Solution, Strong SCHEMBL8083366 0.78
SCHEMBL21402618 0.75 TRPA1 (0.31) TRPA1TRPM8
SCHEMBL788595 0.74
SCHEMBL788624 0.74
SCHEMBL4250939 0.74 ALDH1A1 (0.53) TRPA1TRPM8ALDH1A1EPHX1
SCHEMBL20730936 0.74 ALDH1A1 (0.53) TRPA1TRPM8ALDH1A1EPHX1

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-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed