SCHEMBL7384292

SCHEMBL7384292

N[C@@H](CC1CCCCC1)C(=O)O.O=C(O)CCN[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.46
MMP1 P03956 6/20 0.46
MMP2 P08253 6/20 0.46
ACE P12821 6/20 0.45
EPHX2 P34913 1/20 0.43
LTA4H P09960 1/20 0.41
GGT1 P19440 1/20 0.41

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
SCHEMBL7385252 0.91 ACE (0.44) MMP3MMP1MMP2ACEEPHX2
Cyclohexylglycyl SCHEMBL7423505 0.85 ACE (0.46) ACEEPHX2GGT1
Homophenylalanine SCHEMBL7383933 0.84 GGT1 (0.50) ACELTA4HGGT1
Glutamic Acid SCHEMBL7375280 0.83 GGT1 (0.49) ACELTA4HGGT1
Phenylalanine SCHEMBL7432097 0.82 ALPI (0.56) ACELTA4HGGT1
Serine SCHEMBL7384366 0.82 GGT1 (0.48) ACELTA4HGGT1
SCHEMBL6416587 0.82 ACE (0.53) MMP3MMP1MMP2ACE
SCHEMBL6423726 0.81 GGT1 (0.57) ACEGGT1
SCHEMBL7383218 0.81 GGT1 (0.53) ACELTA4HGGT1
SCHEMBL7428877 0.81 TAAR1 (0.52) ACEEPHX2GGT1

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-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed