SCHEMBL9067002

SCHEMBL9067002

CC1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)C(C)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 14/20 0.43
ESR1 P03372 7/20 0.40
NPY1R P25929 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL9065604 0.81 ESR2 (0.44) ESR2ESR1ALOX5AP
SCHEMBL9074169 0.80 ESR2 (0.34) ESR2ESR1ALDH1A1MAPTALOX5AP
SCHEMBL19494320 0.79 ESR2 (0.44) ESR2ESR1ALOX5AP
SCHEMBL9066127 0.79 ESR2 (0.40) ESR2ESR1
SCHEMBL18119908 0.77 ESR2 (0.39) ESR2ESR1NPY1RALDH1A1CYP1A2
SCHEMBL1501263 0.76 ESR2 (0.48) ESR2ESR1MAPT
SCHEMBL9321872 0.76 ESR2 (0.46) ESR2ESR1
SCHEMBL30132903 0.75 ESR2 (0.50) ESR2ESR1MAPT
SCHEMBL9074497 0.75 ACHE (0.33) ESR2ESR1
SCHEMBL9074500 0.74 ESR2 (0.38) ESR2ESR1ALOX5AP

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