SCHEMBL8638508

SCHEMBL8638508

CCC[C@@H](N[C@@H](CC(C)C)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)OC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSK P43235 1/20 0.38
REN P00797 1/20 0.38
CTSB P07858 2/20 0.37
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
PLA2G1B P04054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
CAPN1 P07384 1/20 0.35
CYP26A1 O43174 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ANPEP P15144 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL8642399 1.00 NPC1 (0.39) NPC1RAB9ACTSKRENCTSB
SCHEMBL8640412 0.92 REN (0.46) RENMEN1KMT2ATAS1R3TAS1R1
SCHEMBL8638062 0.90 REN (0.42) RENMEN1KMT2ATAS1R3TAS1R1
SCHEMBL8644979 0.90 REN (0.42) RENMEN1KMT2ATAS1R3TAS1R1
SCHEMBL8639909 0.88 REN (0.43) NPC1RAB9ACTSKRENMEN1
SCHEMBL8639130 0.87 ANPEP (0.44) CTSBMEN1HTTKMT2ATAS1R3
SCHEMBL8756920 0.85 REN (0.47) RENMEN1KMT2AACEMME
SCHEMBL8645002 0.85 REN (0.41) RENACEMME
SCHEMBL8636757 0.83 MME (0.50) RAB9AMEN1KMT2AACEMME
SCHEMBL8640058 0.82 CTSB (0.40) CTSKCTSBMEN1HTTKMT2A

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