SCHEMBL18786188

SCHEMBL18786188

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.55
EPHX1 P07099 3/20 0.50
TRPV1 Q8NER1 5/20 0.41
TRPA1 O75762 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL18563058 0.80 TRPM8 (0.52) TRPM8EPHX1TRPV1GAAMEN1
SCHEMBL2857549 0.80 TRPM8 (0.54) TRPM8EPHX1TRPV1TRPA1
SCHEMBL2058006 0.80 TRPM8 (0.54) TRPM8EPHX1TRPV1TRPA1
SCHEMBL4379359 0.80 EPHX1 (0.58) TRPM8EPHX1TRPV1TRPA1
SCHEMBL18786181 0.78 TRPM8 (0.50) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL18583489 0.78 TRPM8 (0.50) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL15016269 0.77 EPHX1 (0.58) TRPM8EPHX1TRPV1TRPA1
SCHEMBL3228965 0.77 EPHX1 (0.58) TRPM8EPHX1TRPV1TRPA1
SCHEMBL930592 0.77 EPHX1 (0.58) TRPM8EPHX1TRPV1TRPA1
SCHEMBL29177116 0.77 EPHX1 (0.58) TRPM8EPHX1TRPV1TRPA1

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-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed