SCHEMBL8771877

SCHEMBL8771877

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.37
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
NR1D1 P20393 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL8771878 0.84 MMP13 (0.33) GAAPKM
SCHEMBL8771998 0.83 GAA (0.44) GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL8771997 0.82 GAA (0.35) GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL8899224 0.73 POLB (0.40) GAAKMT2AMAPTMEN1HTT
SCHEMBL8771972 0.70 MAPT (0.47) GAAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8605911 0.69 MEN1 (0.49) GAAKMT2AMAPTMEN1NPC1
SCHEMBL27548321 0.68 GAA (0.56) GAAKMT2AMAPTLMNAHTR2A
SCHEMBL4805620 0.67 GAA (0.54) GAAKMT2AMAPTMEN1NPC1
SCHEMBL7613846 0.67 GAA (0.54) GAAKMT2AMAPTMEN1NPC1
SCHEMBL4581663 0.67 ADRB2 (0.40) KMT2AMAPTMEN1NPC1HTT

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