SCHEMBL26033673

SCHEMBL26033673

CCC1(C)CC(C)CC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAPT P10636 1/20 0.34
KDM1A O60341 1/20 0.34
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 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
SCHEMBL10000525 0.81 ESR1 (0.66) ESR1ESR2MAOBMAOACHRNA1
SCHEMBL13382522 0.79 ESR1 (0.55) ESR1ESR2MAOBMAOAMAPT
SCHEMBL10175309 0.79 ESR1 (0.55) ESR1ESR2MAOBMAOACHRNA1
SCHEMBL25986540 0.78 ESR1 (0.60) ESR1ESR2MAOBMAOACHRNA1
SCHEMBL12177591 0.75 ESR2 (0.80) ESR1ESR2MAOBMAOACHRNA1
SCHEMBL22971495 0.72 ESR1 (0.50) ESR1ESR2MAPTKDM4EMEN1
SCHEMBL18230813 0.72 PKM (0.51) ESR1ESR2MAOBMAOAMAPT
SCHEMBL14518073 0.72 ESR1 (0.46) ESR1ESR2CYP19A1GAA
SCHEMBL12021689 0.71 ESR1 (0.56) ESR1ESR2MAOBMAOACHRNA1
SCHEMBL22651381 0.71 ESR1 (0.56) ESR1ESR2MAOBMAOACHRNA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023156339-A1 FLAME-RETARDANT POLYCARBONATE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed