SCHEMBL7479205

SCHEMBL7479205

NC(=O)CC[C@@H](C(=O)C(C(=O)Nc1n[nH]c(=S)s1)N(C(=O)OCc1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.43
MMP1 P03956 8/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP2 P08253 3/20 0.38
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL7358396 0.84 MMP3 (0.43) MMP3MMP1CA1CA2MMP2
SCHEMBL7358596 0.79 MMP3 (0.46) MMP3MMP1CA1CA2MMP2
SCHEMBL7398436 0.72 MMP1 (0.45) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7365474 0.70 MMP3 (0.42) MMP3MMP1CA1CA2MMP2
SCHEMBL7359112 0.69 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7475200 0.68 MMP3 (0.47) MMP3MMP1CA1CA2MMP2
SCHEMBL6968692 0.67 MMP3 (0.56) MMP3MMP1CA2MMP2MMP9
SCHEMBL6968687 0.67 MMP3 (0.56) MMP3MMP1CA2MMP2MMP9
SCHEMBL8705613 0.67 MMP3 (0.51) MMP3MMP1CA1CA2MMP2
SCHEMBL8708490 0.66 MMP3 (0.52) MMP3MMP1CA1CA2MMP2

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed