SCHEMBL8771994

SCHEMBL8771994

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CA2 P00918 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL8771962 0.87 MAPT (0.49) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL9226283 0.84 MAPT (0.44) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL8772005 0.84 CA2 (0.51) CA2CTSSCTSK
SCHEMBL8771777 0.83 CA2 (0.43) ALDH1A1CA2CTSSCTSK
SCHEMBL8772014 0.83 CTSK (0.53) CA2CTSSCTSK
SCHEMBL8771955 0.83 CTSS (0.44) ALDH1A1CA2CTSSCTSK
SCHEMBL8771868 0.82 MAPT (0.48) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL8771804 0.81 MAPT (0.45) ALDH1A1MAPTGAA
SCHEMBL9032061 0.81 MAPT (0.49) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL9032071 0.81 MAPT (0.49) ALDH1A1MAPTGAANPC1RAB9A

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-7010825-A None JP disclosed
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
JP-H0710825-A AMINO ACID AMIDE DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE KUMIAI CHEM IND CO LTD 1995-01-13 JP disclosed