SCHEMBL7029892

SCHEMBL7029892

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
GSR P00390 1/20 0.36
THRB P10828 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MC4R P32245 3/20 0.33
MC5R P33032 3/20 0.33
MC3R P41968 3/20 0.33
REN P00797 1/20 0.33
ANPEP P15144 2/20 0.32
LTA4H P09960 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
DNPEP Q9ULA0 1/20 0.32

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
SCHEMBL7029135 0.88 MMP2 (0.36) MMP2GSRDPP8DPP9DPP7
SCHEMBL7031323 0.86 MMP2 (0.35) MMP2GSRTHRBDPP8DPP9
SCHEMBL7028027 0.86 ANPEP (0.43) ANPEPLTA4HRNPEPDNPEP
SCHEMBL7031217 0.85 MARS1 (0.36)
SCHEMBL7032099 0.77 ANPEP (0.37) RENANPEPLTA4HRNPEPDNPEP
SCHEMBL7032152 0.75 MARS1 (0.35)
SCHEMBL7032492 0.75 MMP2 (0.34) MMP2GSRDPP8DPP9DPP7
SCHEMBL7027416 0.72 FNTA (0.33) ANPEPRNPEPDNPEP
SCHEMBL30191467 0.72 MC4R (0.48) MMP2MC4RMC5RMC3RANPEP
SCHEMBL7030791 0.72 ANPEP (0.40) MMP2ANPEPLTA4HRNPEPDNPEP

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