SCHEMBL7762291

SCHEMBL7762291

CSCC[C@@H](CO)NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)[C@H](O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
ANPEP P15144 1/20 0.38
LTA4H P09960 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL7763206 0.87 MME (0.41) MMEACECPA1ACE2ANPEP
SCHEMBL7761454 0.82 ANPEP (0.45) MMP2MMP3ANPEPLTA4H
SCHEMBL7763157 0.80 MMP2 (0.49) MMP2MMP3
SCHEMBL7765144 0.77 MME (0.37) MMP2MMP3MMEACECPA1
SCHEMBL7765135 0.77 MME (0.37) MMP2MMP3MMEACECPA1
SCHEMBL7765130 0.77 MME (0.37) MMP2MMP3MMEACECPA1
SCHEMBL6270672 0.68 MMP2 (0.65) MMP2MMP3
SCHEMBL6270662 0.68 MMP2 (0.65) MMP2MMP3
SCHEMBL15304889 0.67 MEN1 (0.54)
SCHEMBL11126931 0.67 MME (0.60) MME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed