SCHEMBL11566178

SCHEMBL11566178

CC(=O)C(=O)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
MAOB P27338 2/20 0.54
IDO1 P14902 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
AKR1C3 P42330 1/20 0.50
MAOA P21397 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11099610 0.90 IDO1 (0.58) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL10465292 0.87 MAOB (0.56) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL5445040 0.84 MAOB (0.54) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL11562316 0.84 BCL9 (0.51) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL11564283 0.84 HTR2A (0.57) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL4567587 0.83 MAOB (0.59) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL9820339 0.83 IDO1 (0.53) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL10569487 0.83 ACHE (0.58) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL11255725 0.83 HTT (0.56) HTR2AMAOBIDO1HTTRAB9A
SCHEMBL11419632 0.82 IDO1 (0.56) HTR2AMAOBIDO1HTTRAB9A

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
EP-0000636-A1 Penem compounds, processes for their preparation, their use in pharmaceutical compositions and azetidinones used in their preparation GLAXO GROUP LIMITED (GB) 1979-02-07 EP disclosed