SCHEMBL7032476

SCHEMBL7032476

CCCC(C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)O)C(C)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.52
TLR2 O60603 1/20 0.47
CPA1 P15085 3/20 0.47
MME P08473 3/20 0.47
ACE P12821 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
SSTR3 P32745 1/20 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
ERAP2 Q6P179 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
CPA2 P48052 1/20 0.45
CPA4 Q9UI42 1/20 0.45
CALCRL Q16602 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL7032498 1.00 GNPAT (0.52) GNPATTLR2CPA1MMEACE
SCHEMBL7031304 0.84 GNPAT (0.53) GNPATCPA1MMEACEACE2
SCHEMBL7026577 0.84 LTA4H (0.53) MMEHDAC3HDAC4HDAC1HDAC2
SCHEMBL7026556 0.84 LTA4H (0.53) MMEHDAC3HDAC4HDAC1HDAC2
SCHEMBL7028765 0.84 MME (0.54) CPA1MMEACEACE2HDAC3
SCHEMBL7029129 0.84 MME (0.64) GNPATTLR2CPA1MMEACE
SCHEMBL7029115 0.84 MME (0.64) GNPATTLR2CPA1MMEACE
SCHEMBL7028784 0.84 MME (0.54) CPA1MMEACEACE2HDAC3
SCHEMBL29531654 0.82 ERAP2 (0.59) GNPATMMEERAP2LNPEPITGB3
SCHEMBL30463392 0.82 ERAP2 (0.59) GNPATMMEERAP2LNPEPITGB3

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