SCHEMBL9074497

SCHEMBL9074497

CC(C)C1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)C(C)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
OPRM1 P35372 3/20 0.31
ESR2 Q92731 3/20 0.31
OPRL1 P41146 1/20 0.30
ESR1 P03372 2/20 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
SCHEMBL19494320 0.83 ESR2 (0.44) ESR2ESR1
SCHEMBL9066127 0.83 ESR2 (0.40) OPRM1ESR2ESR1
SCHEMBL9074536 0.80 ESR2 (0.47) ACHEOPRM1ESR2OPRL1ESR1
SCHEMBL9074493 0.78 ESR2 (0.32) ESR2ESR1
SCHEMBL9067002 0.75 ESR2 (0.43) ESR2ESR1
SCHEMBL9074169 0.73 ESR2 (0.34) ESR2ESR1
SCHEMBL9066659 0.71 ESR2 (0.45) OPRM1ESR2OPRL1ESR1
SCHEMBL344470 0.70 ESR2 (0.53) OPRM1ESR2OPRL1ESR1
SCHEMBL9074500 0.69 ESR2 (0.38) ESR2ESR1
SCHEMBL8593394 0.68 ESR2 (0.40) OPRM1ESR2OPRL1ESR1

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 6 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-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