SCHEMBL7031323

SCHEMBL7031323

CC(=S)c1ccccc1CC(C(=O)O)N(C(=O)CC(C)C)C(=O)C(N)CCCCN

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
THRB P10828 1/20 0.34
GSR P00390 1/20 0.33
MC4R P32245 3/20 0.33
MC5R P33032 3/20 0.33
MC3R P41968 3/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
ANPEP P15144 3/20 0.32
FOLH1 Q04609 2/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL7032492 0.89 MMP2 (0.34) MMP2GSRMC4RMC5RMC3R
SCHEMBL7030791 0.87 ANPEP (0.40) MMP2ANPEPRNPEPDNPEPNOS3
SCHEMBL7027416 0.86 FNTA (0.33) ANPEPRNPEPDNPEPNOS3NOS1
SCHEMBL7029892 0.86 MMP2 (0.37) MMP2THRBGSRMC4RMC5R
SCHEMBL7028776 0.79 ANPEP (0.34) ANPEPRNPEPDNPEPNOS3NOS1
SCHEMBL7029135 0.74 MMP2 (0.36) MMP2GSRMC4RMC5RMC3R
SCHEMBL7031217 0.72 MARS1 (0.36)
SCHEMBL7028027 0.72 ANPEP (0.43) ANPEPRNPEPDNPEPNOS3NOS1
SCHEMBL30191467 0.71 MC4R (0.48) MMP2MC4RMC5RMC3RANPEP
SCHEMBL27920888 0.71 MC4R (0.52) MMP2GSRMC4RMC5RMC3R

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