SCHEMBL2392586

SCHEMBL2392586

CC1CCC(C(C)C)C(c2cccc(C3CC(C)CCC3C(C)C)c2O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
TRPM8 Q7Z2W7 3/20 0.44
TRPA1 O75762 2/20 0.44
KCNA5 P22460 1/20 0.42
TRPV1 Q8NER1 6/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39
P2RX4 Q99571 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
SCHEMBL4638544 0.92 OPRM1 (0.45) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9873557 0.91 OPRM1 (0.41) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL10700915 0.86 KCNA5 (0.50) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL2450850 0.86 ALDH1A1 (0.44) OPRM1TRPM8KCNA5TRPV1ALDH1A1
SCHEMBL5824341 0.86 OPRM1 (0.47) OPRM1TRPM8TRPA1KCNA5ALDH1A1
SCHEMBL9698663 0.85 OPRM1 (0.50) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL29842792 0.84 OPRM1 (0.48) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL348141 0.82 OPRM1 (0.44) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL8498802 0.81 KCNA5 (0.46) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL31546067 0.81 OPRM1 (0.58) OPRM1TRPM8TRPA1KCNA5TRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed
EP-0026204-A1 PROCESS FOR THE PRODUCTION OF ALKALI METAL-CELLULOSE-SILICATES AND THEIR REACTION PRODUCTS BLOUNT, David H. (US) 1981-04-08 EP disclosed
WO-1980002142-A1 PROCESS FOR THE PRODUCTION OF ALKALI METAL-CELLULOSE-SILICATES AND THEIR REACTION PRODUCTS BLOUNT D (US) 1980-10-16 WO disclosed