SCHEMBL11729019

SCHEMBL11729019

CC1CCC(C(C)C)C(C2=C(C3CC(C)CCC3C(C)C)SC(=C3SC(C4CC(C)CCC4C(C)C)=C(C4CC(C)CCC4C(C)C)S3)S2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.46
TRPA1 O75762 2/20 0.46
OPRM1 P35372 1/20 0.40
EPHX1 P07099 1/20 0.40
KCNA5 P22460 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP19A1 P11511 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
LMNA P02545 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL9177409 0.78 TRPM8 (0.54) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL10700915 0.70 KCNA5 (0.50) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL3639819 0.69 KCNA5 (0.53) TRPM8TRPA1OPRM1KCNA5ALDH1A1
SCHEMBL10715246 0.69 TRPM8 (0.44) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL29549463 0.69 TRPM8 (0.46) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL30604482 0.68 TRPM8 (0.62) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL9558710 0.68 TRPM8 (0.43) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL8498806 0.68 TRPA1 (0.43) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL9737051 0.68 TRPA1 (0.43) TRPM8TRPA1OPRM1EPHX1KCNA5
SCHEMBL31577617 0.68 OPRM1 (0.53) TRPM8TRPA1OPRM1EPHX1KCNA5

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-4036648-A Highly conductive printing medium containing a halogenated hydrocarbon photoactivator and a tetrathiafulvalene or a related compound thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1977-07-19 US disclosed