SCHEMBL7032492

SCHEMBL7032492

CCCCC(=O)N(C(=O)C(N)CCCCN)C(Cc1ccccc1C(C)=S)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
LTB4R2 Q9NPC1 4/20 0.33
ACHE P22303 1/20 0.32
GSR P00390 1/20 0.32
MC4R P32245 3/20 0.32
MC5R P33032 3/20 0.32
MC3R P41968 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
AGTR1 P30556 1/20 0.32
TLR2 O60603 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
SCHEMBL7031323 0.89 MMP2 (0.35) MMP2GSRMC4RMC5RMC3R
SCHEMBL7029135 0.87 MMP2 (0.36) MMP2LTB4R2ACHEGSRMC4R
SCHEMBL7027416 0.76 FNTA (0.33)
SCHEMBL7030791 0.75 ANPEP (0.40) MMP2LTB4R2
SCHEMBL7029892 0.75 MMP2 (0.37) MMP2GSRMC4RMC5RMC3R
SCHEMBL7032152 0.74 MARS1 (0.35)
SCHEMBL29111717 0.74 GNAI3 (0.46) GSRDPP8DPP9DPP7
SCHEMBL7032099 0.73 ANPEP (0.37) LTB4R2
SCHEMBL34471252 0.71 FFAR4 (0.43) GSRTLR2
SCHEMBL18043461 0.71 GSR (0.51) GSRDPP7

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