SCHEMBL8544716

SCHEMBL8544716

O=Cc1cc(F)c(Oc2cccc(Oc3c(F)cc(C=O)cc3F)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRC P12931 1/20 0.39
DRD1 P21728 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
GCK P35557 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
NLRP1 Q9C000 1/20 0.34
NOD2 Q9HC29 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
SCHEMBL14656324 0.91 MAOA (0.47) MAOAMAOBMAPTPOLBHSP90AA1
SCHEMBL29851828 0.89 POLB (0.39) MAOAMAOBMAPTPOLBHSP90AA1
SCHEMBL23193938 0.89 POLB (0.39) MAOAMAOBMAPTPOLBHSP90AA1
SCHEMBL14656113 0.89 CYP1A2 (0.43) MAOAMAOBMAPTPOLBHSP90AA1
SCHEMBL31218192 0.86 MAOA (0.35) MAOAMAOBMAPTPOLBHSP90AA1
SCHEMBL14656281 0.86 ALDH1A1 (0.58) MAOBMAPTPOLBALDH1A1L3MBTL1
SCHEMBL14662126 0.85 EPAS1 (0.40)
SCHEMBL14656252 0.84 SOS1 (0.44) MAOBPOLBALDH1A1L3MBTL1DRD1
SCHEMBL14667726 0.81 ALDH1A1 (0.50) MAOAMAOBPOLBALDH1A1L3MBTL1
SCHEMBL24313337 0.81 CYP1A1 (0.37) POLBALDH1A1L3MBTL1DRD1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed