SCHEMBL8070574

SCHEMBL8070574

CNC(=O)[C@@H](NC(=O)C(CC(=O)OC(C)(C)C)CC1CCC1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.52
MMP13 P45452 5/20 0.52
MMP3 P08254 12/20 0.43
MMP2 P08253 10/20 0.43
MMP9 P14780 4/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
MMP7 P09237 3/20 0.42

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
SCHEMBL5488356 0.87 LTA4H (0.47) MMP1MMP13MMP3MMP2
SCHEMBL5488359 0.87 LTA4H (0.47) MMP1MMP13MMP3MMP2
SCHEMBL8068667 0.85 MMP1 (0.58) MMP1MMP13MMP3MMP2MMP9
SCHEMBL14492870 0.82 MMP1 (0.37) MMP1MMP13MMP3MMP2
SCHEMBL14492872 0.81 LTA4H (0.46) MMP1MMP13
SCHEMBL5098019 0.79 MMP1 (0.67) MMP1MMP13MMP3MMP2MMP9
SCHEMBL9714246 0.79 MMP1 (0.67) MMP1MMP13MMP3MMP2MMP9
SCHEMBL5488362 0.77 MMP1 (0.49) MMP1MMP13MMP3MMP2
SCHEMBL5488364 0.77 MMP1 (0.49) MMP1MMP13MMP3MMP2
SCHEMBL6945106 0.76 CTSS (0.40) MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066662-A USE IN CONTROL OR PREVENTION OF RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS OR IN THE TREATMENT OF INVASIVE TUMOURS, ATHEROSCLEROSIS OR MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. (US) 2000-05-23 US disclosed