SCHEMBL6963762

SCHEMBL6963762

O=C(Nc1n[nH]c(=S)s1)C(CC1CCCCC1)NC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.72
MMP1 P03956 8/20 0.72
MMP2 P08253 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43

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
SCHEMBL6963754 1.00 MMP3 (0.72) MMP3MMP1MMP2CA1CA2
SCHEMBL6958038 0.84 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6966746 0.83 MMP3 (0.59) MMP3MMP1MMP2
SCHEMBL6966752 0.83 MMP3 (0.59) MMP3MMP1MMP2
SCHEMBL8709654 0.80 MMP3 (0.60) MMP3MMP1MMP2CA1CA2
SCHEMBL6961135 0.79 MMP3 (0.77) MMP3MMP1MMP2CA1CA2
SCHEMBL6952470 0.78 MMP3 (0.72) MMP3MMP1MMP2
SCHEMBL8150208 0.74 MMP3 (0.71) MMP3MMP1MMP2CA1CA2
SCHEMBL10136037 0.71 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL5443538 0.71 MMP3 (1.00) MMP3MMP1MMP2

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
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed