SCHEMBL7455688

SCHEMBL7455688

O=C(O)Oc1cc(=O)c2ccc(O)cc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.60
CYP19A1 P11511 2/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
CA12 O43570 1/20 0.54
AKR1B10 O60218 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CYP1A2 P05177 1/20 0.54
ABCB1 P08183 1/20 0.54
CALM1 P0DP23 1/20 0.54
HSD17B1 P14061 1/20 0.54
PKM P14618 1/20 0.54
HSD17B3 P37058 1/20 0.54
XDH P47989 1/20 0.54
CYP1B1 Q16678 1/20 0.54
CA9 Q16790 1/20 0.54
FTO Q9C0B1 1/20 0.54
CYP3A4 P08684 3/20 0.53
HPGD P15428 3/20 0.53

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
SCHEMBL1864108 0.81 KDM4E (0.58) CYP19A1MAOBCA12CA1CA2
SCHEMBL1500219 0.81 CYP3A4 (0.61) AKR1B1CYP19A1MAOAMAOBCA12
SCHEMBL1865302 0.81 KDM4E (0.66) CYP19A1MAOBCA12CA1CA2
SCHEMBL5275063 0.76 AKR1B1 (1.00) AKR1B1CYP19A1MAOAMAOBCA12
SCHEMBL6545814 0.76 FLT3 (0.54) MAOAMAOBCA12CA1CA2
SCHEMBL5715426 0.75 MAPT (0.52) AKR1B1CYP19A1MAOAMAOBCA12
SCHEMBL6036796 0.74 KDM4E (0.52) CYP3A4HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL2318178 0.74 TNKS (0.52) MAOBCYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL5220493 0.74 GABRP (0.52) CA12CA9CYP3A4SMN1; SMN2MAPK1
SCHEMBL5188789 0.72 AKR1B1 (0.76) AKR1B1CYP19A1MAOAMAOBCA12

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-0739892-B1 Chromone derivatives NOVARTIS AG (CH) 2002-09-25 EP disclosed
EP-0739892-A2 Chromone derivatives CIBA-GEIGY AG (CH) 1996-10-30 EP disclosed