SCHEMBL13984728

SCHEMBL13984728

O=C(NC(C(=O)NO)C1CCS(=O)(=O)CC1)c1ccc(/C=C/C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.44
▸ MMP2 P08253 6/20 0.44
▸ MMP8 P22894 6/20 0.44
▸ MMP9 P14780 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13245282 1.00 MMP13 (0.44) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL13245313 0.94 MMP13 (0.47) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL13245276 0.93 MMP13 (0.47) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL13244967 0.91 MMP13 (0.51) MMP13MMP2MMP8MMP9
SCHEMBL18712229 0.91 MMP13 (0.51) MMP13MMP2MMP8MMP9
SCHEMBL13267514 0.90 KDM4E (0.48) KDM4E
SCHEMBL3018972 0.84 MMP13 (0.56) MMP13MMP2MMP8MMP9
SCHEMBL3018980 0.84 MMP13 (0.56) MMP13MMP2MMP8MMP9
SCHEMBL18023396 0.83 MMP13 (0.44) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL3007908 0.83 MMP13 (0.55) MMP13MMP2MMP8MMP9

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-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO disclosed
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