SCHEMBL8771972

SCHEMBL8771972

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 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
SCHEMBL8771998 0.87 GAA (0.44) MAPTGAAALDH1A1SMN1; SMN2MAOB
SCHEMBL8771807 0.84 ALDH1A1 (0.44) MAPTGAAALDH1A1PTGS2SMN1; SMN2
SCHEMBL8771902 0.73 MAPT (0.51) MAPTGAAALDH1A1PTGS2
SCHEMBL6182355 0.72 GAA (0.57) MAPTGAAALDH1A1PTGS2SMN1; SMN2
SCHEMBL5689077 0.72 GAA (0.53) MAPTGAAALDH1A1PTGS2SMN1; SMN2
SCHEMBL6182354 0.72 GAA (0.57) MAPTGAAALDH1A1PTGS2SMN1; SMN2
SCHEMBL8605149 0.72 GAA (0.56) MAPTGAAALDH1A1PTGS2MAOB
SCHEMBL8896432 0.72 CA12 (0.44) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL27995831 0.71 MAPT (0.53) MAPTGAAALDH1A1PTGS2MAOB
SCHEMBL27995829 0.71 MAPT (0.53) MAPTGAAALDH1A1PTGS2MAOB

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 1 patent. 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