SCHEMBL8639909

SCHEMBL8639909

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CC(C)C)C(=O)N(c1ccc(-c2ccc(OC)cc2)cc1)[C@@H](C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
MMP3 P08254 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CTSK P43235 1/20 0.39
ACE P12821 8/20 0.39
LMNA P02545 2/20 0.39
PDE3A Q14432 1/20 0.39
MME P08473 1/20 0.39
ABCB11 O95342 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
MPI P34949 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL8640412 0.95 REN (0.46) RENACELMNAPDE3AMME
SCHEMBL8644979 0.91 REN (0.42) RENMMP3ACELMNAMME
SCHEMBL8638062 0.91 REN (0.42) RENMMP3ACELMNAMME
SCHEMBL8756920 0.89 REN (0.47) RENMMP3ACELMNAMME
SCHEMBL8645002 0.88 REN (0.41) RENACELMNAMME
SCHEMBL8642399 0.88 NPC1 (0.39) RENALDH1A1CTSKACEMME
SCHEMBL8638508 0.88 NPC1 (0.39) RENALDH1A1CTSKACEMME
SCHEMBL8641870 0.87 MME (0.48) MMP3ALDH1A1CTSKMMEKMT2A
SCHEMBL8636757 0.87 MME (0.50) ACELMNAPDE3AMMEABCB11
SCHEMBL8639879 0.83 ACE (0.42) ACELMNAPDE3AMMEABCB11

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-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed