SCHEMBL7385252

SCHEMBL7385252

N[C@@H](CCC1CCCCC1)C(=O)O.O=C(O)CCN[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.44
BCHE P06276 1/20 0.43
EPHX2 P34913 1/20 0.42
MMP1 P03956 5/20 0.41
MMP2 P08253 5/20 0.41
MMP3 P08254 5/20 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
SCHEMBL7384292 0.91 MMP3 (0.46) ACEEPHX2MMP1MMP2MMP3
Homophenylalanine SCHEMBL7383933 0.85 GGT1 (0.50) ACEGGT1
Glutamic Acid SCHEMBL7375280 0.84 GGT1 (0.49) ACEGGT1
Cyclohexylglycyl SCHEMBL7423505 0.84 ACE (0.46) ACEEPHX2GGT1
SCHEMBL7383218 0.82 GGT1 (0.53) ACEGGT1
SCHEMBL6411223 0.82 ACE (0.53) ACE
Serine SCHEMBL7384366 0.81 GGT1 (0.48) ACEGGT1
Phenylalanine SCHEMBL7432097 0.81 ALPI (0.56) ACEGGT1
SCHEMBL6423726 0.80 GGT1 (0.57) ACEGGT1
Leucine SCHEMBL6415294 0.80 LTA4H (0.46) MMP3GGT1

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 6 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-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 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-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 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