SCHEMBL7423312

SCHEMBL7423312

CC(=O)N[C@@H](C)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 4/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL11622271 0.83 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL28408225 0.83 EPHX2 (0.54) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL983419 0.82 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL1985401 0.81 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL26963087 0.81 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL15346268 0.81 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL9816342 0.81 LMNA (0.40) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL27379526 0.80 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL7257340 0.79 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL6809339 0.78 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed