SCHEMBL8534121

SCHEMBL8534121

CCCCC(C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.40
PTPRC P08575 1/20 0.40

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
SCHEMBL6268629 0.89 ALDH1A1 (0.54) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL2167750 0.86 ALDH1A1 (0.64) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL15930057 0.86 ALDH1A1 (0.64) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL2282582 0.84 MEN1 (0.54) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL2282489 0.84 MEN1 (0.54) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL29790477 0.84 MEN1 (0.54) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL2168623 0.84 MEN1 (0.54) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL31259790 0.84 TNF (0.51) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL6260167 0.83 TNF (0.53) TNFALDH1A1MAPK1KDM4ETP53
SCHEMBL31259808 0.83 TNF (0.50) TNFALDH1A1MAPK1ATMMEN1

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-0847991-A1 Method for the preparation of N-(carboxyalkyl) imides DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-06-17 EP disclosed