SCHEMBL17400397

SCHEMBL17400397

C=C1CC(C)CC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CYP19A1 P11511 1/20 0.34
ESR1 P03372 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
SCHEMBL13937520 0.81 ESR2 (0.53) ESR1ESR2NPY1R
SCHEMBL10000525 0.71 ESR1 (0.66) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL25986505 0.71 SLC6A4 (0.46) MAOBMAOAOPRM1OPRL1BACE1
SCHEMBL4093476 0.70 MAOB (0.50) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL11781557 0.69 MAOB (0.46) MAOBMAOACA12CA1CA2
SCHEMBL25986540 0.68 ESR1 (0.60) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL24922660 0.67 CA1 (0.55) MAOBMAOACA12CA1CA2
SCHEMBL26033673 0.67 ESR1 (0.44) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL13144077 0.66 HPGD (0.43) MAOBMAOABACE1POLB
SCHEMBL12177591 0.66 ESR2 (0.80) MAOBMAOACHRNA1CHRNGCHRNB1

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
EP-1942378-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE FORMING APPARATUS MITSUBISHI CHEM CORP (JP) 2016-01-06 EP disclosed