SCHEMBL8771902

SCHEMBL8771902

CC(COc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](N)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.47
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
PTGS2 P35354 1/20 0.43
POLB P06746 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
SCHEMBL9112581 0.83 ALDH1A1 (0.56) MAPTALDH1A1GAAMTNR1AMTNR1B
SCHEMBL8771962 0.80 MAPT (0.49) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL8771764 0.80 MMP2 (0.54) MAPTALDH1A1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL8771788 0.79 MMP2 (0.53) MAPTALDH1A1MTNR1AMTNR1B
SCHEMBL8771994 0.78 ALDH1A1 (0.47) MAPTALDH1A1GAA
SCHEMBL8771804 0.78 MAPT (0.45) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL8771900 0.78 MAPT (0.51) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL5689077 0.77 GAA (0.53) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL8605149 0.76 GAA (0.56) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL13205905 0.76 ALDH1A1 (0.48) MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed