SCHEMBL9543018

SCHEMBL9543018

Nc1ccc([N+](=O)[O-])cc1C(=O)CC[C@@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GRM8 O00222 10/20 0.47
GRM4 Q14833 10/20 0.47
GRM6 O15303 5/20 0.46
PTPRA P18433 1/20 0.45
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL465890 1.00 KMO (0.50) KMOALDH1A1CYP3A4ALOX15TDP1
SCHEMBL639675 1.00 KMO (0.50) KMOALDH1A1CYP3A4ALOX15TDP1
Water SCHEMBL6282445 0.99 KMO (0.49) KMOALDH1A1CYP3A4ALOX15TDP1
Hydrochloric Acid SCHEMBL11310889 0.99 KMO (0.49) KMOALDH1A1CYP3A4ALOX15TDP1
Hydrochloric Acid SCHEMBL10950905 0.99 KMO (0.49) KMOALDH1A1CYP3A4ALOX15TDP1
Bromide SCHEMBL10946974 0.99 KMO (0.49) KMOALDH1A1CYP3A4ALOX15TDP1
Iodide SCHEMBL10947423 0.99 KMO (0.49) KMOALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10613892 0.81 KMT2A (0.50) ALDH1A1CYP3A4ALOX15TDP1GRM8
4-Nitroaniline SCHEMBL10698315 0.81 CCR2 (0.38) KMOGRM8GRM4GRM6GAA
SCHEMBL4414897 0.80 KMT2A (0.44) ALDH1A1CYP3A4ALOX15TDP1GRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4281788-A None JP disclosed
JP-5176765-A None JP disclosed
JP-H05176765-A NEW GAMMA-GTP AND ITS PRODUCTION ASADA YOSHIHIRO 1993-07-20 JP disclosed
JP-H04281788-A ISOENZYME AND ITS MIXTURE OF GAMMA-GLUTAMYLTRANSPEPTIDASE ASADA YOSHIHIRO 1992-10-07 JP disclosed