SCHEMBL8639019

SCHEMBL8639019

CC1CCC(C(C)C)C(SC(N)(CO)P(=O)(O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
TRPM8 Q7Z2W7 5/20 0.38
TRPA1 O75762 2/20 0.38
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
HPGD P15428 1/20 0.30
CYP19A1 P11511 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
SCHEMBL8141077 0.88 EPHX1 (0.38) EPHX1TRPM8TRPA1KCNA5ALDH1A1
SCHEMBL8643093 0.75 ALDH1A1 (0.39) EPHX1TRPM8TRPA1KCNA5ALDH1A1
SCHEMBL8147103 0.75 EPHX1 (0.42) EPHX1TRPM8TRPA1KCNA5ALDH1A1
SCHEMBL8642185 0.71
SCHEMBL8642674 0.71
SCHEMBL8146933 0.69 ALDH1A1 (0.38) EPHX1TRPM8TRPA1KCNA5ALDH1A1
SCHEMBL5680415 0.67 TRPM8 (0.47) EPHX1TRPM8TRPA1KCNA5ALDH1A1
SCHEMBL8645771 0.66 METAP1 (0.33)
SCHEMBL8155031 0.66 FDPS (0.30)
SCHEMBL8152948 0.66

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