SCHEMBL9626424

SCHEMBL9626424

CC(=O)CCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.69
MAOA P21397 3/20 0.69
ALOX5 P09917 1/20 0.63
RXRA P19793 1/20 0.63
RXRB P28702 1/20 0.63
RXRG P48443 1/20 0.63
FFAR1 O14842 4/20 0.56
FFAR4 Q5NUL3 3/20 0.56
AKR1B1 P15121 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR5 Q9H228 1/20 0.55

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
SCHEMBL9626404 0.88 FFAR1 (0.56) MAOBMAOAALOX5RXRARXRB
SCHEMBL9627231 0.85 MAOB (0.74) MAOBMAOAALOX5RXRARXRB
SCHEMBL9627289 0.84 MAOB (0.68) MAOBMAOAFFAR1FFAR4
SCHEMBL8935287 0.84 MAOB (0.64) MAOBMAOAALOX5RXRARXRB
SCHEMBL9626407 0.84 MAOB (0.69) MAOBMAOAFFAR1FFAR4AKR1B1
SCHEMBL9626622 0.84 MAOB (0.65) MAOBMAOAFFAR1FFAR4AKR1B1
SCHEMBL5038560 0.84 MAOB (0.58) MAOBMAOAALOX5RXRARXRB
SCHEMBL5033197 0.83 FFAR1 (0.77) MAOBALOX5FFAR1FFAR4AKR1B1
SCHEMBL1848 0.82 ALDH1A1 (0.60) MAOBMAOAFFAR1FFAR4
SCHEMBL9626352 0.82 FFAR1 (0.79) MAOBFFAR1FFAR4AKR1B1

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