SCHEMBL8749681

SCHEMBL8749681

CNC(=O)[C@H](Cc1ccc(OCC(=O)OC)cc1)NC(=O)N(O)C(=O)[C@H](CCC(C)C)CSc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.47
MMP3 P08254 7/20 0.46
MMP2 P08253 6/20 0.46
MMP9 P14780 5/20 0.46
MMP8 P22894 4/20 0.46
MMP7 P09237 3/20 0.46
MMP13 P45452 3/20 0.46
MMP14 P50281 2/20 0.46
FCER2 P06734 2/20 0.46
ADAM17 P78536 2/20 0.46

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
SCHEMBL6417502 0.93 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7364097 0.92 MMP1 (0.51) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7358017 0.87 MMP1 (0.61) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7360514 0.86 MMP1 (0.44) MMP1MMP3MMP2MMP9MMP8
SCHEMBL6412867 0.77 MMP3 (0.51) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7358380 0.76 MMP1 (0.39) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7364461 0.76 FCER2 (0.47) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7365448 0.75 MMP1 (0.55) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8548294 0.74 ALDH1A1 (0.37) MMP1MMP3MMP2
SCHEMBL6412851 0.73 MMP1 (0.39) MMP1MMP3MMP2MMP9MMP8

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
US-5691382-A ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-11-25 US disclosed
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed