SCHEMBL9065754

SCHEMBL9065754

CC1CC(C)CC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
HIF1A Q16665 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ACHE P22303 1/20 0.32
TTR P02766 2/20 0.31
MEN1 O00255 1/20 0.31
ALB P02768 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1C1 Q04828 1/20 0.31
CRHBP P24387 1/20 0.31

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
SCHEMBL296906 0.80 ESR1 (0.59) CYP3A4TSHRTDP1ALDH1A1HSD17B10
SCHEMBL9066255 0.80 ALDH1A1 (0.39) CYP3A4TSHRTDP1ALDH1A1HSD17B10
SCHEMBL9065900 0.79 ACHE (0.53) ESR1ESR2ACHECA1CA2
SCHEMBL9066283 0.78 ALDH1A1 (0.40) CYP3A4TSHRTDP1ALDH1A1HSD17B10
SCHEMBL9065500 0.78 HSD17B10 (0.37) CYP3A4TSHRALDH1A1HSD17B10HPGD
SCHEMBL9065938 0.74 ALDH1A1 (0.37) CYP3A4TSHRTDP1ALDH1A1HSD17B10
SCHEMBL297024 0.72 ESR1 (0.54) ESR1ESR2ACHE
SCHEMBL6589188 0.69 ALDH1A1 (0.35) CYP3A4TSHRTDP1ALDH1A1HSD17B10
SCHEMBL6589192 0.69 ALDH1A1 (0.35) CYP3A4TSHRTDP1ALDH1A1HSD17B10
SCHEMBL297177 0.69 ESR1 (0.50) ALDH1A1ESR1ESR2CA1CA2

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 9 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
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-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