SCHEMBL7026570

SCHEMBL7026570

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.32
FNTA P49354 5/20 0.32
FNTB P49356 5/20 0.32
MARS1 P56192 2/20 0.31
AGTR1 P30556 1/20 0.31
PGGT1B P53609 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.88 MMP2 (0.34) LTB4R2AGTR1
SCHEMBL7027416 0.88 FNTA (0.33) FNTAFNTBMARS1PGGT1BKMT2A
SCHEMBL7032152 0.87 MARS1 (0.35) FNTAFNTBMARS1PGGT1B
SCHEMBL7028776 0.86 ANPEP (0.34) LTB4R2AGTR1KDM4EMEN1RECQL
SCHEMBL7031323 0.77 MMP2 (0.35)
SCHEMBL7030791 0.75 ANPEP (0.40) LTB4R2
SCHEMBL7029135 0.74 MMP2 (0.36) LTB4R2
SCHEMBL7031217 0.74 MARS1 (0.36) FNTAFNTBMARS1PGGT1B
SCHEMBL7032099 0.72 ANPEP (0.37) LTB4R2
SCHEMBL16556116 0.71 REN (0.43) FNTAFNTBPGGT1B

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