SCHEMBL8639031

SCHEMBL8639031

CC1CCC(C(C)C)C(C(O)(CN)P(O)(O)=S)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.40
TRPA1 O75762 2/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 3/20 0.33
KCNA5 P22460 1/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 4/20 0.33
OPRM1 P35372 1/20 0.32
HPGD P15428 1/20 0.32
CYP19A1 P11511 2/20 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
SCHEMBL8141083 0.89 TRPM8 (0.38) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL8148497 0.73 TRPM8 (0.39) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL8145478 0.72 ALDH1A1 (0.42) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL30846576 0.71 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1TRPV1
SCHEMBL6335746 0.71 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1TRPV1
SCHEMBL30904661 0.70 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL5981079 0.70 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL8148566 0.70
SCHEMBL8642192 0.69
SCHEMBL5680415 0.69 TRPM8 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed