SCHEMBL27768720

SCHEMBL27768720

CC1CCC(C(C)C)C(N=C=S)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.46
TRPA1 O75762 2/20 0.46
EPHX1 P07099 3/20 0.40
APLNR P35414 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KCNA5 P22460 1/20 0.33
TRPV1 Q8NER1 3/20 0.31
LMNA P02545 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL2628608 0.81 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL2124381 0.81 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL19636145 0.75 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL25921899 0.75 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL28885658 0.70 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL27790159 0.70 EPHX1 (0.51) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL20566114 0.70 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL19179016 0.70 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL30604482 0.68 TRPM8 (0.62) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL21349959 0.66 TRPM8 (0.60) TRPM8TRPA1EPHX1ALDH1A1KCNA5

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
CN-101611857-B New menthyl derivatives as flavor substances SYMRISE AG 2013-09-25 CN disclosed
CN-101611857-A New menthyl derivatives as flavor substance SYMRISE GMBH & CO KG DE 2009-12-30 CN disclosed