SCHEMBL9630186

SCHEMBL9630186

CC(=O)Cc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
POLB P06746 2/20 0.50
ALOX5 P09917 1/20 0.50
EPHX2 P34913 1/20 0.49
MAOA P21397 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
PARP10 Q53GL7 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9632286 1.00 MAOB (0.53) MAOBPOLBALOX5EPHX2MAOA
SCHEMBL3499767 0.85 MAOB (0.58) MAOBALOX5EPHX2
SCHEMBL68570 0.83 ALOX5 (0.69) MAOBALOX5ALDH1A1RAB9APARP10
SCHEMBL48403 0.82 CYP19A1 (0.50) POLBALDH1A1MAPTRAB9AHTT
SCHEMBL1928563 0.82 MAOB (0.71) MAOBPOLBMAOAALDH1A1MAPT
SCHEMBL6959187 0.82 MAOB (0.71) MAOBMAOAALDH1A1HTTSMN1; SMN2
SCHEMBL9630106 0.82 ACACB (0.58) ALOX5RAB9AHTTSMN1; SMN2
SCHEMBL16866569 0.81 POLB (0.54) POLBALDH1A1MAPTRAB9AHTT
SCHEMBL4186 0.81 MAOB (0.74) MAOB
Ethylene SCHEMBL11248134 0.81 ALOX5 (0.66) MAOBALOX5ALDH1A1RAB9APARP10

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
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed