SCHEMBL7333228

SCHEMBL7333228

CC(OC(C)(C)C)C(C(=O)Nc1n[nH]c(=S)s1)C(=O)N(C)N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.44
CA2 P00918 8/20 0.44
CA9 Q16790 6/20 0.44
MMP3 P08254 10/20 0.40
CASP6 P55212 1/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.36

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
SCHEMBL7338631 0.80 CA1 (0.44) CA1CA2CA9MMP3CASP6
SCHEMBL7339581 0.79 MMP3 (0.52) CA1CA2MMP3MMP1MMP2
SCHEMBL7341498 0.78 CA1 (0.44) CA1CA2CA9MMP3CASP6
SCHEMBL7332421 0.74 CA1 (0.41) CA1CA2CA9MMP3CASP6
SCHEMBL6950585 0.72 MMP3 (0.60) CA1CA2CA9MMP3MMP1
SCHEMBL6956799 0.72 MMP3 (0.60) CA1CA2CA9MMP3MMP1
SCHEMBL6950588 0.72 MMP3 (0.60) CA1CA2CA9MMP3MMP1
SCHEMBL7492356 0.72 CA1 (0.59) CA1CA2CA9MMP3CASP6
SCHEMBL7492352 0.72 CA1 (0.59) CA1CA2CA9MMP3CASP6
SCHEMBL7338621 0.71 MMP3 (0.47) CA1CA2CA9MMP3CASP6

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