SCHEMBL9066161

SCHEMBL9066161

CC(C)(C)CC(C)(C)C1CCCC(c2ccc(O)cc2)(c2ccc(O)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.45
ESR1 P03372 5/20 0.45
SHBG P04278 1/20 0.36
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
HSD11B1 P28845 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP3A4 P08684 1/20 0.30
AR P10275 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR6 P50406 1/20 0.30
ESRRG P62508 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9066174 0.87 ESR2 (0.46) ESR2ESR1OPRM1OPRK1OPRD1
SCHEMBL9066130 0.85 ESR2 (0.44) ESR2ESR1OPRM1OPRK1OPRD1
SCHEMBL2042870 0.84 ESR2 (0.52) ESR2ESR1OPRM1OPRK1OPRD1
SCHEMBL9064719 0.82 ESR2 (0.46) ESR2ESR1SHBGOPRM1OPRK1
SCHEMBL9065610 0.82 ESR1 (0.40) ESR2ESR1SHBGCYP3A4AR
SCHEMBL9803643 0.80 ESR2 (0.50) ESR2ESR1OPRM1OPRK1OPRD1
SCHEMBL9803912 0.77 ESR2 (0.44) ESR2ESR1OPRM1OPRK1OPRD1
SCHEMBL23250802 0.74 ESR2 (0.46) ESR2ESR1OPRM1OPRK1OPRD1
SCHEMBL9074542 0.73 ESR2 (0.53) ESR2ESR1OPRM1OPRK1OPRD1
SCHEMBL935956 0.72 ESR2 (0.57) 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 5 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-0469404-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
US-5010163-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0374630-A2 Polycarbonates from cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed