SCHEMBL9065940

SCHEMBL9065940

CC1CCC(C(C)(C)C)CC1(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.37
ESR1 P03372 5/20 0.37
CYP3A4 P08684 2/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
ESRRG P62508 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ENTPD5 O75356 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
NPY1R P25929 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
SCHEMBL9065656 0.80 ESR2 (0.45) ESR2ESR1HPGDALDH1A1NPY1R
SCHEMBL9074169 0.76 ESR2 (0.34) ESR2ESR1ENTPD5ALDH1A1
SCHEMBL9066136 0.76 ESR1 (0.40) ESR2ESR1CYP3A4ARHPGD
SCHEMBL16581434 0.75 ESR2 (0.53) ESR2ESR1CYP3A4
SCHEMBL6451587 0.72 ESR1 (0.47) ESR2ESR1CYP3A4ARHPGD
SCHEMBL2042870 0.71 ESR2 (0.52) ESR2ESR1CYP3A4ARHPGD
SCHEMBL9720471 0.70 ESR2 (0.36) ESR2ESR1ALDH1A1
SCHEMBL2498416 0.69 ESR2 (0.53) ESR2ESR1CYP3A4ARHPGD
SCHEMBL9066477 0.69 ESR2 (0.41) ESR2ESR1CYP3A4ARHPGD
SCHEMBL1501263 0.69 ESR2 (0.48) ESR2ESR1SLC6A4SLC6A3

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-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