SCHEMBL13686642

SCHEMBL13686642

CC(C)(C)C(=O)OCc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.66
NR4A2 P43354 1/20 0.59
PARP10 Q53GL7 1/20 0.57
APP P05067 1/20 0.53
MAOA P21397 1/20 0.52
FFAR1 O14842 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCD Q05655 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL13543649 0.91 L3MBTL1 (0.54) MAOBNR4A2
SCHEMBL28584628 0.89 L3MBTL1 (0.52) MAOBNR4A2
SCHEMBL13686681 0.86 PRKCA (0.66) MAOBNR4A2PARP10FFAR1PRKCA
SCHEMBL10263162 0.83 MAOB (0.71) MAOBNR4A2PARP10APPMAOA
SCHEMBL22386737 0.82 MAOB (0.70) MAOBNR4A2PARP10APPMAOA
SCHEMBL27305897 0.82 ELANE (0.52) PRKCAPRKCD
SCHEMBL22267266 0.81 MAOB (0.44) MAOBNR4A2PARP10APPMAOA
SCHEMBL2087139 0.80 MAOB (1.00) MAOBNR4A2PARP10MAOAHRH3
SCHEMBL13522153 0.79 MAOB (0.55) MAOBNR4A2PARP10APPMAOA
SCHEMBL3732071 0.79 RAB9A (0.55) FFAR1PRKCAPRKCD

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
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed