SCHEMBL7765040

SCHEMBL7765040

O=C(O)[C@@H](O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N(CO)CCc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
FDFT1 P37268 3/20 0.34
MGLL Q99685 1/20 0.33
MME P08473 1/20 0.32
HDAC2 Q92769 1/20 0.32
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32

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
SCHEMBL7765035 1.00 MMP12 (0.34) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7765130 0.78 MME (0.37) MMP2MME
SCHEMBL7765135 0.78 MME (0.37) MMP2MME
SCHEMBL7765144 0.78 MME (0.37) MMP2MME
SCHEMBL7971454 0.68 TRPA1 (0.40)
SCHEMBL7762255 0.67 MMP2 (0.49) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7762305 0.66 MMP2 (0.45) MMP12MMP2
SCHEMBL7762293 0.66 MMP2 (0.45) MMP12MMP2
SCHEMBL7762298 0.66 MMP2 (0.45) MMP12MMP2
SCHEMBL7988529 0.65 ROCK1 (0.39) FNTAPGGT1B

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