SCHEMBL11518311

SCHEMBL11518311

O=COCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALOX5 P09917 1/20 0.54
CES1 P23141 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD11B1 P28845 1/20 0.47
CES2 O00748 1/20 0.46
SRD5A2 P31213 1/20 0.46
MMP8 P22894 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL13531982 0.79 GSK3B (0.61) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL20221553 0.78 MAPT (0.44) GSK3BMAPTALDH1A1KDM4EMAPK1
SCHEMBL2554642 0.77 GSK3B (0.62) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL10747787 0.77 MAPT (0.62) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL28964071 0.77 MAPT (0.62) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL11518309 0.77 GSK3B (0.57) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL11510574 0.76 GSK3B (0.71) GSK3BALDH1A1MEN1KMT2ACES1
SCHEMBL240086 0.76 GSK3B (0.71) GSK3BALDH1A1CES1CA1CA2
SCHEMBL11074838 0.75 GSK3B (0.53) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL17702639 0.75 NPC1 (0.53) GSK3BMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145344-A BICYCLOMYCIN DERIVATIVES CIBA-GEIGY CORPORATION (US) 1979-03-20 US disclosed