SCHEMBL7128262

SCHEMBL7128262

Cc1cc(-c2ccccc2C(C)(C)C)cc(-c2ccccc2C(C)(C)C)c1C(C)(OP(OC(C)(c1c(C)cc(-c2ccccc2C(C)(C)C)cc1-c1ccccc1C(C)(C)C)c1c(C)cc(-c2ccccc2C(C)(C)C)cc1-c1ccccc1C(C)(C)C)OC(C)(c1c(C)cc(-c2ccccc2C(C)(C)C)cc1-c1ccccc1C(C)(C)C)c1c(C)cc(-c2ccccc2C(C)(C)C)cc1-c1ccccc1C(C)(C)C)c1c(C)cc(-c2ccccc2C(C)(C)C)cc1-c1ccccc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.35
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7128265 0.91 TRPA1 (0.33) TRPA1GABRA1GABRB2CYP1A2CYP2C9
SCHEMBL77703 0.68 POLB (0.36) GABRA1GABRB2
SCHEMBL2264844 0.68 SMN1; SMN2 (0.41) CYP2C9CYP2C19
SCHEMBL7128277 0.68 TRPA1 (0.31) TRPA1
SCHEMBL1194484 0.68 ALDH1A1 (0.55) TRPA1GABRA1GABRB2CYP1A2
SCHEMBL20034068 0.66 GABRA1 (0.50) TRPA1GABRA1GABRB2CYP1A2
SCHEMBL28582164 0.66 TRPA1 (0.43) TRPA1GABRA1GABRB2CYP1A2CYP2C9
Phosphine SCHEMBL2238711 0.66 ALDH1A1 (0.52) TRPA1GABRA1GABRB2CYP1A2
SCHEMBL545684 0.66 ALDH1A1 (0.52) TRPA1GABRA1GABRB2CYP1A2
SCHEMBL23746850 0.66 TRPA1 (0.45) TRPA1

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
EP-1024165-B1 STABILIZER COMPOSITION FOR ORGANIC POLYMERIC MATERIALS CONTAINING 6-HYDROXYCHROMAN COMPOUNDS AND ORGANIC POLYMERIC MATERIAL COMPOSITIONS API CORP (JP) 2003-07-09 EP disclosed