SCHEMBL7422976

SCHEMBL7422976

CCCCC(C[C@@H](CCc1ccc(CCC)cc1)C(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.67
MMP3 P08254 16/20 0.67
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
CA2 P00918 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL7422973 1.00 MMP2 (0.67) MMP2MMP3SLC1A3SLC1A2SLC1A1
SCHEMBL21895810 0.95 MMP2 (0.61) MMP2MMP3CA2MAPK1
SCHEMBL7367245 0.94 MMP2 (0.60) MMP2MMP3SLC1A2SLC1A1
SCHEMBL7382744 0.88 MMP2 (0.55) MMP2MMP3
SCHEMBL7362919 0.88 MMP2 (0.55) MMP2MMP3
SCHEMBL7382801 0.85 MMP3 (0.58) MMP2MMP3
SCHEMBL7382804 0.85 MMP3 (0.58) MMP2MMP3
SCHEMBL7365809 0.85 MMP2 (0.53) MMP2MMP3SLC1A2
SCHEMBL473644 0.85 MMP2 (0.61) MMP2MMP3CA2MAPK1
SCHEMBL27541801 0.85 S1PR2 (0.55) MMP2MMP3SLC1A2SLC1A1CA2

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-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed