SCHEMBL7339581

SCHEMBL7339581

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.52
MMP1 P03956 9/20 0.51
MMP2 P08253 5/20 0.48
MMP9 P14780 4/20 0.45
MMP8 P22894 4/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7333445 0.82 MMP3 (0.61) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7333228 0.79 CA1 (0.44) MMP3MMP1MMP2CA1CA2
SCHEMBL6959258 0.77 MMP3 (0.62) MMP3MMP1MMP2
SCHEMBL6959253 0.77 MMP3 (0.62) MMP3MMP1MMP2
SCHEMBL7345089 0.76 MMP3 (0.55) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6952093 0.76 MMP3 (0.69) MMP3MMP1MMP2
SCHEMBL6950694 0.75 MMP3 (0.67) MMP3MMP1MMP2
SCHEMBL6950696 0.75 MMP3 (0.67) MMP3MMP1MMP2
SCHEMBL7339565 0.74 MMP3 (0.54) MMP3MMP1MMP2CA1CA2
SCHEMBL7335781 0.73 MMP3 (0.53) MMP3MMP1MMP2MMP9MMP8

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-5847148-A Thiadiazole derivatives useful for the treatment of diseases related to connective tissue degradation PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US disclosed