SCHEMBL7029115

SCHEMBL7029115

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.64
ACE P12821 9/20 0.64
CPA1 P15085 9/20 0.64
ACE2 Q9BYF1 9/20 0.64
GNPAT O15228 1/20 0.52
TLR2 O60603 1/20 0.49
SSTR3 P32745 1/20 0.49

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
SCHEMBL7029129 1.00 MME (0.64) MMEACECPA1ACE2GNPAT
SCHEMBL7028034 0.86 MME (0.72) MMEACECPA1ACE2
SCHEMBL7029885 0.85 MME (0.67) MMEACECPA1ACE2GNPAT
SCHEMBL7026704 0.85 MME (0.67) MMEACECPA1ACE2GNPAT
SCHEMBL7026712 0.85 MME (0.67) MMEACECPA1ACE2GNPAT
SCHEMBL7032476 0.84 GNPAT (0.52) MMEACECPA1ACE2GNPAT
SCHEMBL7032498 0.84 GNPAT (0.52) MMEACECPA1ACE2GNPAT
SCHEMBL29531757 0.84 GHSR (0.56) MMEACECPA1ACE2GNPAT
SCHEMBL30628702 0.84 GHSR (0.56) MMEACECPA1ACE2GNPAT
SCHEMBL7032146 0.83 MME (0.61) MMEACECPA1ACE2

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