SCHEMBL7026577

SCHEMBL7026577

CCCC(C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)=S

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
BACE1 P56817 1/20 0.47
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PGGT1B P53609 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ANPEP P15144 2/20 0.46
MME P08473 1/20 0.46

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
SCHEMBL7026556 1.00 LTA4H (0.53) LTA4HBACE1FNTAFNTBPGGT1B
SCHEMBL7028784 0.85 MME (0.54) LTA4HHDAC3HDAC4HDAC1HDAC2
SCHEMBL7028765 0.85 MME (0.54) LTA4HHDAC3HDAC4HDAC1HDAC2
SCHEMBL7032498 0.84 GNPAT (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7032476 0.84 GNPAT (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8836882 0.84 GNPAT (0.61) LTA4HBACE1FNTAFNTBPGGT1B
SCHEMBL7027405 0.84 LTA4H (0.53) LTA4HBACE1FNTAFNTBPGGT1B
SCHEMBL7032146 0.84 MME (0.61) LTA4HMME
SCHEMBL7032149 0.84 MME (0.61) LTA4HMME
SCHEMBL30051757 0.82 FNTA (0.59) LTA4HFNTAFNTBPGGT1BANPEP

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