SCHEMBL9065923

SCHEMBL9065923

CCC(C)(C)C1CCCC(c2ccc(O)c(C)c2)(c2ccc(O)c(C)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.55
ESR2 Q92731 10/20 0.55
AR P10275 4/20 0.38
LMNA P02545 2/20 0.34
ALOX12 P18054 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACHE P22303 1/20 0.34
PPARA Q07869 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL9066376 0.87 ESR1 (0.60) ESR1ESR2ARLMNAALOX12
SCHEMBL9066042 0.86 ACHE (0.50) ESR1ESR2ACHE
SCHEMBL9073420 0.84 ESR1 (0.56) ESR1ESR2ARLMNAALOX12
SCHEMBL9066174 0.83 ESR2 (0.46) ESR1ESR2AROPRM1OPRD1
SCHEMBL10458967 0.80 ESR1 (0.62) ESR1ESR2ARLMNAALOX12
SCHEMBL30165912 0.77 ESR1 (0.66) ESR1ESR2LMNAALOX12ACHE
SCHEMBL9065911 0.77 ESR1 (0.66) ESR1ESR2LMNAALOX12ACHE
SCHEMBL9066140 0.77 HSD17B10 (0.33) ALOX12ACHE
SCHEMBL9066254 0.77 SLC6A3 (0.33) ACHE
SCHEMBL6451677 0.75 ESR1 (0.57) ESR1ESR2ARLMNANPSR1

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
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
EP-0374656-A2 Polycarbonates from alkyl cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed