SCHEMBL9065900

SCHEMBL9065900

Cc1cc(C2(c3cc(C)c(O)c(C)c3)CC(C)CC(C)C2)cc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
CCR2 P41597 2/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
CYP2C9 P11712 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
SCHEMBL9066039 0.80 ESR1 (0.59) ACHEESR1ESR2CCR2CYP2C9
SCHEMBL9065754 0.79 CYP3A4 (0.37) ACHECA1CA2ESR1ESR2
SCHEMBL9065500 0.79 HSD17B10 (0.37) ACHEESR1ESR2CCR2CYP2C9
SCHEMBL298066 0.79 ESR1 (0.61) ACHECA1CA2ESR1ESR2
SCHEMBL9066672 0.79 ACHE (0.61) ACHECA1CA2ESR1ESR2
SCHEMBL2754948 0.78 ACHE (0.50) ACHECA1CA2ESR1ESR2
SCHEMBL6857583 0.77 ACHE (0.63) ACHECA1CA2ESR1ESR2
SCHEMBL675031 0.74 ACHE (0.79) ACHECA1CA2ESR1ESR2
SCHEMBL9066385 0.73 ACHE (0.53) ACHECA1CA2ESR1ESR2
SCHEMBL18855357 0.72 ACHE (0.47) ACHECA1CA2ESR1ESR2

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 8 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-0374623-B1 POLYCARBONATES FROM POLYSUBSTITUTED CYCLOHEXYLIDENE DIPHENOLS BAYER AG (DE) 1992-05-27 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
US-5034457-A Polycarbonate for use in molding materials for laminated films and for electronics BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
US-5021542-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0387593-A2 Thermoplastic alloys of polycarbonates based on substituted cyclohexylidenbisphenols BAYER AG (DE) 1990-09-19 EP disclosed
EP-0374623-A2 Polycarbonates from polysubstituted cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed