SCHEMBL9534511

SCHEMBL9534511

O=C1Cc2ccccc2OC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
NAMPT P43490 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ADK P55263 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL11248958 0.86 TNKS (0.38) MAOBMAOAHDAC3HDAC1HDAC8
SCHEMBL2474551 0.84 MAOB (0.49) MAOBMAOAADK
SCHEMBL19746 0.83 CYP19A1 (0.45) MAOBMAOAADK
Methane SCHEMBL27973705 0.82 CYP19A1 (0.44) MAOBMAOAADK
SCHEMBL11733122 0.82 CYP19A1 (0.44) MAOBMAOAADK
SCHEMBL2481562 0.81 LMNA (0.35) MAOBMAOA
SCHEMBL2283832 0.81 CYP3A4 (0.49) MAOBMAOAESR1CYP1A1CYP1A2
SCHEMBL10381296 0.81 POLB (0.42) PGRMAOBMAOA
SCHEMBL11049014 0.81 MAOB (0.49) MAOBMAOA
Hydrochloric Acid SCHEMBL11050861 0.79 AKT1 (0.41) MAOBMAOAADKCYP3A4

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-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed