SCHEMBL8771804

SCHEMBL8771804

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL9229163 0.84 MAPT (0.44) MAPTALDH1A1GAACRHBPCRHR2
SCHEMBL8771962 0.83 MAPT (0.49) MAPTALDH1A1GAAPOLBRECQL
SCHEMBL8771994 0.81 ALDH1A1 (0.47) MAPTALDH1A1GAA
SCHEMBL8771902 0.78 MAPT (0.51) MAPTALDH1A1GAAPOLBPTGS2
SCHEMBL9112581 0.76 ALDH1A1 (0.56) MAPTALDH1A1GAACRHBPCRHR2
SCHEMBL8771900 0.74 MAPT (0.51) MAPTALDH1A1GAACRHBPCRHR2
SCHEMBL9229171 0.71 MAPT (0.48) MAPTALDH1A1GAAPOLBRECQL
SCHEMBL9226283 0.69 MAPT (0.44) MAPTALDH1A1GAAPOLBPKM
SCHEMBL1496777 0.68 GAA (0.63) MAPTALDH1A1GAACRHBPCRHR2
SCHEMBL10643494 0.67 GAA (0.58) MAPTALDH1A1GAACRHBPCRHR2

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