SCHEMBL9813879

SCHEMBL9813879

CCOC(=O)c1cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.67
KDM4E B2RXH2 4/20 0.67
GLA P06280 3/20 0.67
GAA P10253 3/20 0.67
HPGD P15428 3/20 0.67
ALDH1A1 P00352 3/20 0.67
CA12 O43570 3/20 0.67
CA2 P00918 3/20 0.67
CA4 P22748 3/20 0.67
CA7 P43166 3/20 0.67
CA3 P07451 1/20 0.67
CA6 P23280 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
MAPT P10636 4/20 0.62
HSD17B10 Q99714 2/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
MIF P14174 1/20 0.60
PFKFB3 Q16875 1/20 0.60

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
SCHEMBL7163440 0.89 MIF (0.67) MAOBKDM4EGLAGAAHPGD
SCHEMBL10849691 0.87 MAOB (0.61) MAOBKDM4EGLAGAAHPGD
SCHEMBL9813843 0.84 MAOB (0.72) MAOBKDM4EGLAGAAHPGD
SCHEMBL7672880 0.82 CA12 (0.69) MAOBKDM4EGAAALDH1A1CA12
SCHEMBL30595105 0.82 CA12 (0.69) MAOBKDM4EGAAALDH1A1CA12
SCHEMBL10795678 0.81 MIF (0.69) MAOBKDM4EGLAGAAHPGD
SCHEMBL24176814 0.81 ALDH1A1 (0.82) MAOBKDM4EGLAGAAHPGD
SCHEMBL1406462 0.81 MAOB (1.00) MAOBKDM4EGLAGAAHPGD
SCHEMBL2394277 0.78 MAOB (0.77) MAOBKDM4EGLAGAAHPGD
SCHEMBL16418952 0.78 KDM4E (0.77) MAOBKDM4EGLAGAAHPGD

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-0110682-B1 ACTIVATED ARYL CAPPED FLUORESCENT COMPOUNDS, AND ASSAY METHODS AND SYSTEMS USING THEM AS FLUOROGENIC PRECURSORS SYVA COMPANY (US) 1991-08-21 EP disclosed
US-4857455-A WATER SOLUBLE ACTIVATED CAPPED AROMATIC FLUORESCENT COMPOUNDS SYNTEX (U.S.A) INC. (US) 1989-08-15 US disclosed
EP-0110682-A2 Activated aryl capped fluorescent compounds, and assay methods and systems using them as fluorogenic precursors SYVA COMPANY (US) 1984-06-13 EP disclosed