SCHEMBL11564283

SCHEMBL11564283

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAOB P27338 1/20 0.47
AKR1C3 P42330 1/20 0.47
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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 0.86 IDO1 (0.58) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL11582838 0.84 HTR2A (0.50) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL11582840 0.84 HTR2A (0.50) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL11566178 0.84 HTR2A (0.54) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL8247254 0.83 HTR2A (0.60) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL10465292 0.80 MAOB (0.56) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL11562316 0.80 BCL9 (0.51) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL10801173 0.79 HTR2A (0.67) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL11147561 0.79 HTR2A (0.56) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL10569487 0.79 ACHE (0.58) HTR2AHTTRAB9AIDO1ALDH1A1

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