SCHEMBL28845942

SCHEMBL28845942

CC(C)[C@@H]1CC[C@@](C)(Cl)C[C@H]1O.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.38

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
SCHEMBL6036660 0.98 TRPA1 (0.39) TRPA1TRPM8
SCHEMBL27781948 0.98 TRPA1 (0.39) TRPA1TRPM8
SCHEMBL28245683 0.98 TRPA1 (0.39) TRPA1TRPM8
Magnesium SCHEMBL31485797 0.96 TRPA1 (0.38) TRPA1TRPM8
SCHEMBL340924 0.78 TRPA1 (0.42) TRPA1TRPM8
SCHEMBL11677340 0.78 TRPA1 (0.42) TRPA1TRPM8
SCHEMBL19920155 0.78 TRPA1 (0.42) TRPA1TRPM8
SCHEMBL18105685 0.78 TRPA1 (0.42) TRPA1TRPM8
SCHEMBL5500416 0.78 TRPA1 (0.42) TRPA1TRPM8
SCHEMBL18105686 0.78 TRPA1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946729-A A kind of preparation method of L amide of mint class compound 万华化学集团股份有限公司 2017-07-14 CN disclosed