SCHEMBL9065813

SCHEMBL9065813

CC1CC(c2ccc(O)cc2)(c2ccc(O)cc2)CCC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.42
ESR1 P03372 3/20 0.42
DEGS1 O15121 2/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
KDM1A O60341 4/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL16581425 0.84 ESR2 (0.43) ESR2ESR1DEGS1KCNQ3KCNQ2
SCHEMBL16581430 0.81 ESR2 (0.44) ESR2ESR1MAPTKDM1A
SCHEMBL2044939 0.80 ESR2 (0.49) ESR2ESR1MAPTKMT2A
SCHEMBL2045808 0.76 ESR2 (0.52) ESR2ESR1DEGS1TRPA1
SCHEMBL237553 0.75 ESR2 (0.59) ESR2ESR1MAPT
SCHEMBL22811872 0.74 ESR1 (0.50) ESR2ESR1MAPT
SCHEMBL2043249 0.74 TRPA1 (0.54) ESR2ESR1TRPA1
SCHEMBL2019808 0.73 MAPK1 (0.46) MAPK1SMN1; SMN2
SCHEMBL20761647 0.73 ESR1 (0.41) ESR2ESR1MAPTMAPK1SMN1; SMN2
SCHEMBL9066065 0.72 ESR2 (0.47) ESR2ESR1

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