SCHEMBL7912452

SCHEMBL7912452

COCC(C)NC(=O)C(NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)o1)C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 18/20 0.79
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL1317279 1.00 MMP13 (0.79) MMP13SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL1319136 0.89 MMP13 (1.00) MMP13
SCHEMBL1318244 0.83 MMP13 (0.79) MMP13
SCHEMBL1317326 0.82 MMP13 (0.83) MMP13
SCHEMBL7912740 0.80 MMP13 (0.58) MMP13
SCHEMBL1316531 0.80 MMP13 (0.58) MMP13
SCHEMBL1317251 0.80 MMP13 (0.58) MMP13
SCHEMBL1317323 0.77 MMP13 (0.78) MMP13
SCHEMBL1317320 0.77 MMP13 (0.78) MMP13
SCHEMBL7911602 0.74 MMP13 (0.83) MMP13

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
WO-2010056585-A2 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-20 — — WO disclosed
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