SCHEMBL9065604

SCHEMBL9065604

CC1CC(c2ccccc2)CCC1(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.44
ESR1 P03372 4/20 0.43
ALOX5AP P20292 1/20 0.38
TRPA1 O75762 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
OPRM1 P35372 4/20 0.37
OPRK1 P41145 4/20 0.37
OPRD1 P41143 2/20 0.37

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
SCHEMBL9067002 0.81 ESR2 (0.43) ESR2ESR1ALOX5AP
SCHEMBL9073788 0.79 SOAT1 (0.33) ESR2ESR1ALOX5AP
SCHEMBL2045808 0.74 ESR2 (0.52) ESR2ESR1TRPA1
SCHEMBL7521407 0.73 ESR2 (0.54) ESR2ESR1TRPA1
SCHEMBL9074169 0.73 ESR2 (0.34) ESR2ESR1ALOX5AP
SCHEMBL19494320 0.72 ESR2 (0.44) ESR2ESR1ALOX5AP
SCHEMBL9066127 0.72 ESR2 (0.40) ESR2ESR1OPRM1
SCHEMBL3846252 0.71 KDM1A (0.40) TRPA1AKR1C3AKR1C1
SCHEMBL3913540 0.71 KDM1A (0.40) TRPA1AKR1C3AKR1C1
SCHEMBL20492218 0.71 KDM1A (0.39) ESR2ESR1ALOX5APTRPA1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469403-B1 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-B1 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0414053-B1 POLYCARBONATES FROM SUBSTITUTED CYCLOHEXYLIDENE DIPHENOLS BAYER AG (DE) 1992-10-28 EP disclosed
EP-0469404-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
EP-0469403-A2 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
US-5034458-A Polycarbonate for use in molding materials for laminated films and for electronics BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0414053-A2 Polycarbonates from substituted cyclohexylidene diphenols BAYER AG (DE) 1991-02-27 EP disclosed