SCHEMBL8771900

SCHEMBL8771900

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
PTGS2 P35354 1/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 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
SCHEMBL9229171 0.82 MAPT (0.48) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL9226283 0.80 MAPT (0.44) MAPTALDH1A1GAAPOLBPKM
SCHEMBL9229163 0.80 MAPT (0.44) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL8771759 0.80 MMP2 (0.51) MAPTALDH1A1
Hydrochloric Acid SCHEMBL8771786 0.79 MMP2 (0.50) MAPTALDH1A1
SCHEMBL9112581 0.78 ALDH1A1 (0.56) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL8771902 0.78 MAPT (0.51) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL8771962 0.75 MAPT (0.49) MAPTALDH1A1GAAPTGS2POLB
SCHEMBL27995829 0.75 MAPT (0.53) MAPTALDH1A1GAAPTGS2MAOB
SCHEMBL27995831 0.75 MAPT (0.53) MAPTALDH1A1GAAPTGS2MAOB

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