SCHEMBL9065614

SCHEMBL9065614

CC(C)(c1ccccc1)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.44
ESR1 P03372 8/20 0.44
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL2605554 0.92 ESR2 (0.48) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL12606716 0.90 ESR2 (0.44) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL2605550 0.88 ESR2 (0.47) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL2605551 0.87 ESR2 (0.43) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL20684752 0.84 ESR2 (0.47) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL13379634 0.84 ESR2 (0.47) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL11141715 0.84 ESR2 (0.44) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL9803912 0.83 ESR2 (0.44) ESR2ESR1CYP3A4ALDH1A1OPRM1
SCHEMBL9803635 0.82 ESR1 (0.54) ESR2ESR1ALDH1A1OPRM1GRIN2D
SCHEMBL9803622 0.82 ESR2 (0.47) ESR2ESR1CYP3A4ALDH1A1OPRM1

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-0465967-B1 Continuous separation of aromatic polycarbonates in semicrystalline form from CH2Cll2 solutions BAYER AG (DE) 1996-04-03 EP disclosed
EP-0465967-A2 Continuous separation of aromatic polycarbonates in semicrystalline form from CH2Cll2 solutions BAYER AG (DE) 1992-01-15 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-5010163-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0387593-A2 Thermoplastic alloys of polycarbonates based on substituted cyclohexylidenbisphenols BAYER AG (DE) 1990-09-19 EP disclosed
EP-0374630-A2 Polycarbonates from cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed