SCHEMBL10712258

SCHEMBL10712258

O=C(Oc1ccc([N+](=O)[O-])cc1)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.53
▸ CTNNB1 P35222 1/20 0.53
▸ GAA P10253 2/20 0.51
▸ HTR2A P28223 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ MGLL Q99685 2/20 0.47
▸ PTPN7 P35236 1/20 0.45
▸ PTPN12 Q05209 1/20 0.45
▸ PTPN22 Q9Y2R2 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL9299508 0.83 GAA (0.57) BCL9CTNNB1GAAHTR2AKMT2A
SCHEMBL9237410 0.83 GAA (0.57) BCL9CTNNB1GAAHTR2AKMT2A
SCHEMBL28323255 0.83 BCL9 (0.51) BCL9CTNNB1GAAHTR2AKMT2A
SCHEMBL4854441 0.81 MGLL (0.58) BCL9CTNNB1GAAHTR2AKMT2A
SCHEMBL4752026 0.80 GAA (0.58) BCL9CTNNB1GAAHTR2AKMT2A
SCHEMBL14307582 0.80 GAA (0.58) BCL9CTNNB1GAAHTR2AKMT2A
SCHEMBL11658704 0.79 IDO1 (0.51) HTR2AALDH1A1RAB9A
Glycerin SCHEMBL5983875 0.79 BCL9 (0.51) BCL9CTNNB1GAAHTR2AKMT2A
SCHEMBL5983878 0.79 HTR2A (0.54) BCL9CTNNB1GAAHTR2AKMT2A
Bromide SCHEMBL11665376 0.79 MEN1 (0.60) GAAKMT2APKMALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4640835-A PHYSIOLOGICALLY STABLE ANTICOAGULANTS NIPPON CHEMIPHAR COMPANY, LTD. (JP) 1987-02-03 — — US disclosed
US-4495285-A Plasminogen activator derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1985-01-22 — — US disclosed
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