SCHEMBL8771913

SCHEMBL8771913

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
MMP3 P08254 2/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
DPP4 P27487 3/20 0.36

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
SCHEMBL8772017 0.91 MMP2 (0.46) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771989 0.87 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771761 0.86 MMP2 (0.44) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8772004 0.83 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8772008 0.77 GPR119 (0.40) MAOB
SCHEMBL8771956 0.76 GHSR (0.33) HPGDMAOBMAPT
SCHEMBL8771997 0.75 GAA (0.35) MMP2MMP3ALDH1A1MAOBMAPT
SCHEMBL8771998 0.74 GAA (0.44) ALDH1A1MAOBMAPT
SCHEMBL8771780 0.74 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771782 0.74 ADRB3 (0.31)

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