SCHEMBL7758518

SCHEMBL7758518

O=C(O)C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CO)Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.62
ECE1 P42892 1/20 0.51
MMP2 P08253 15/20 0.49
MMP3 P08254 6/20 0.49
PTAFR P25105 1/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
PRKACA P17612 1/20 0.45
MAPK1 P28482 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
PRKX P51817 1/20 0.45
ROCK1 Q13464 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN2 Q16513 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL7758513 1.00 MMP12 (0.62) MMP12ECE1MMP2MMP3PTAFR
SCHEMBL6270502 0.92 MMP12 (0.64) MMP12ECE1MMP2MMP3MMP1
SCHEMBL6270497 0.92 MMP12 (0.64) MMP12ECE1MMP2MMP3MMP1
SCHEMBL7765152 0.90 MMP2 (0.55) MMP12MMP2MMP3MMP1MMP7
SCHEMBL7763746 0.85 MMP2 (0.49) MMP12MMP2MMP3MMP1MMP7
SCHEMBL7763742 0.85 MMP2 (0.49) MMP12MMP2MMP3MMP1MMP7
SCHEMBL7762298 0.80 MMP2 (0.45) MMP12MMP2MMP3MMP1
SCHEMBL7762305 0.80 MMP2 (0.45) MMP12MMP2MMP3MMP1
SCHEMBL7762293 0.80 MMP2 (0.45) MMP12MMP2MMP3MMP1
SCHEMBL7762278 0.77 MMP12 (0.50) MMP12MMP2MMP3PTAFR

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 disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed