SCHEMBL8387494

SCHEMBL8387494

COCCOCOCCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
ANPEP P15144 2/20 0.44
RNPEP Q9H4A4 2/20 0.44
DNPEP Q9ULA0 2/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LAP3 P28838 2/20 0.43
CTSC P53634 1/20 0.43

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
SCHEMBL17078164 0.90 CA2 (0.59) CA2ANPEPRNPEPDNPEPALPI
SCHEMBL5556436 0.90 CA2 (0.59) CA2ANPEPRNPEPDNPEPALPI
SCHEMBL13340021 0.85 CA2 (0.64) CA2SMN1; SMN2HTTANPEPRNPEP
SCHEMBL17337726 0.84 CA2 (0.66) CA2SMN1; SMN2HTTANPEPRNPEP
Hydrochloric Acid SCHEMBL18787086 0.83 CA2 (0.65) CA2SMN1; SMN2HTTANPEPRNPEP
SCHEMBL4831966 0.82 CA2 (0.52) CA2
SCHEMBL6443119 0.82 CA2 (0.64) CA2SMN1; SMN2HTTANPEPRNPEP
SCHEMBL7066414 0.82 CTSD (0.44) CA2SMN1; SMN2HTT
SCHEMBL23742786 0.80 CA2 (0.50) CA2CTSC
SCHEMBL21010316 0.79 SLC15A1 (0.64) CA2ANPEPRNPEPDNPEPALPI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793641-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-04-21 EP disclosed
US-5866717-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-02-02 US disclosed
EP-0793641-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-09-10 EP disclosed
WO-1996016931-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-06-06 WO disclosed