SCHEMBL9627323

SCHEMBL9627323

OCCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.70
FFAR1 O14842 1/20 0.69
FFAR4 Q5NUL3 1/20 0.69
LTA4H P09960 1/20 0.62
EPHX2 P34913 1/20 0.62
NR4A2 P43354 2/20 0.62
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PDGFRA P16234 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR5 Q9H228 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.52
IDO1 P14902 1/20 0.50

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
SCHEMBL23642800 0.96 MAOB (0.68) MAOBFFAR1FFAR4LTA4HEPHX2
SCHEMBL31676723 0.96 MAOB (0.68) MAOBFFAR1FFAR4LTA4HEPHX2
SCHEMBL6702238 0.85 MAOB (0.65) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL18003091 0.84 LTA4H (0.67) MAOBFFAR1FFAR4LTA4HEPHX2
SCHEMBL81305 0.82 TAAR1 (0.62) MAPTHTTIDO1
SCHEMBL18003261 0.81 CYP4F2 (0.58) MAOBFFAR1FFAR4LTA4HEPHX2
Bromide SCHEMBL28093819 0.81 TAAR1 (0.61) MAPTHTTIDO1
SCHEMBL23642870 0.80 MAOB (0.64) MAOBFFAR1FFAR4LTA4HEPHX2
SCHEMBL5669711 0.79 MAOB (0.74) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL9626584 0.79 LTA4H (0.68) MAOBLTA4HEPHX2NR4A2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed