SCHEMBL7028027

SCHEMBL7028027

CC(C)CC(=O)N(C(=O)C(N)CC(C)C)C(Cc1ccccc1S)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
MMP1 P03956 2/20 0.39
LARS1 Q9P2J5 1/20 0.36
ACE P12821 6/20 0.36
LTA4H P09960 1/20 0.36
SLC7A5 Q01650 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7032099 0.88 ANPEP (0.37) ANPEPRNPEPDNPEPMMP1LARS1
SCHEMBL7029892 0.86 MMP2 (0.37) ANPEPRNPEPDNPEPLTA4H
SCHEMBL7031217 0.86 MARS1 (0.36)
SCHEMBL7030791 0.84 ANPEP (0.40) ANPEPRNPEPDNPEPLARS1ACE
SCHEMBL29045686 0.77 ANPEP (0.41) ANPEPRNPEPDNPEPLARS1ACE
SCHEMBL19974077 0.77 ANPEP (0.51) ANPEPRNPEPDNPEPACELTA4H
SCHEMBL27468737 0.74 ANPEP (0.53) ANPEPRNPEPDNPEPACELTA4H
SCHEMBL7028776 0.74 ANPEP (0.34) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL4398840 0.73 ANPEP (0.38) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL7029135 0.73 MMP2 (0.36) ANPEPLTA4H

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-1140984-B1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMA INC (US) 2003-02-12 EP disclosed
US-6352976-B1 ENZYME INHIBITORS OF MATRIX METALLOPROTEINASE FOR EMPHYSEMA AVENTIS PHARMACEUTICALS INC. 2002-03-05 US disclosed
EP-1140984-A1 SELECTIVE INHIBITORS OF MMP-12 Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040600-A1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed