SCHEMBL8771868

SCHEMBL8771868

CC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CA2 P00918 1/20 0.41
HTT P42858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TRPA1 O75762 1/20 0.39
HTR2A P28223 1/20 0.37

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
SCHEMBL8771874 0.84 CTSS (0.49) ALDH1A1MEN1KMT2ACA2HTT
SCHEMBL9231068 0.84 LMNA (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8771994 0.82 ALDH1A1 (0.47) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL8771992 0.81 CTSK (0.50) ALDH1A1CA2HTTCTSSCTSK
SCHEMBL7341887 0.81 MAPT (0.64) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL19668455 0.81 MAPT (0.64) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL9032071 0.80 MAPT (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL9032061 0.80 MAPT (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28845992 0.75 PPARG (0.47) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL12279815 0.75 ALDH1A1 (0.49) MAPTALDH1A1GAAMEN1KMT2A

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