SCHEMBL9816016

SCHEMBL9816016

N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])c(CO)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.53
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 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
SCHEMBL9816111 0.91 LTA4H (0.51) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL29355173 0.85 LTA4H (0.54) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL14586345 0.85 LTA4H (0.54) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL1870730 0.85 LTA4H (0.54) LTA4HMEN1ALDH1A1LMNAKMT2A
Ammonia Solution, Strong SCHEMBL29399251 0.84 LTA4H (0.53) LTA4HMEN1ALDH1A1LMNAKMT2A
Ammonia Solution, Strong SCHEMBL29370733 0.84 LTA4H (0.53) LTA4HMEN1ALDH1A1LMNAKMT2A
Ammonia Solution, Strong SCHEMBL9816149 0.84 LTA4H (0.53) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL9816033 0.82 LTA4H (0.51) LTA4HGRM8GRM4
SCHEMBL11097431 0.82 LTA4H (0.51) LTA4HMEN1ALDH1A1LMNAKMT2A
SCHEMBL9816133 0.82 LTA4H (0.51) LTA4HMEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297607-B1 GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVES AND PROCESS FOR DETERMINING GAMMA-GTP ACTIVITY USING THE SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-28 EP claimed
US-4851572-A DIAGNOSIS OF LIVER AND BILE DUCT DISORDERS, ALCOHOLISM WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US claimed
EP-0297607-A1 Gamma-L-glutamyl-4-nitroanilide derivatives and process for determining gamma-GTP activity using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-04 EP claimed
JP-1110654-A None JP disclosed
EP-0297607-B1 GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVES AND PROCESS FOR DETERMINING GAMMA-GTP ACTIVITY USING THE SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-28 EP disclosed
US-4851572-A DIAGNOSIS OF LIVER AND BILE DUCT DISORDERS, ALCOHOLISM WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
JP-H01110654-A NOVEL GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVE AND METHOD FOR MEASURING GAMMA-GLUTAMYLTRANSPEPTIDASE ACTIVITY USING THE SAME WAKO PURE CHEM IND LTD 1989-04-27 JP disclosed
EP-0297607-A1 Gamma-L-glutamyl-4-nitroanilide derivatives and process for determining gamma-GTP activity using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-04 EP disclosed