SCHEMBL13984815

SCHEMBL13984815

O=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 14/20 0.71
▸ MMP9 P14780 9/20 0.71
▸ MMP13 P45452 4/20 0.56
▸ MMP3 P08254 3/20 0.56
▸ MMP14 P50281 2/20 0.56
▸ MMP10 P09238 1/20 0.56
▸ MMP12 P39900 1/20 0.56
▸ ADAMTS4 O75173 2/20 0.56
▸ MMP1 P03956 3/20 0.53
▸ ADAMTS5 Q9UNA0 1/20 0.53
▸ MMP7 P09237 1/20 0.53
▸ CTSL P07711 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ CTSB P07858 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL13266866 1.00 MMP2 (0.71) MMP2MMP9MMP13MMP3MMP14
SCHEMBL3016012 0.92 MMP2 (0.58) MMP2MMP9MMP13MMP3MMP14
SCHEMBL13244755 0.92 MMP2 (0.58) MMP2MMP9MMP13MMP3MMP14
SCHEMBL3016017 0.92 MMP2 (0.58) MMP2MMP9MMP13MMP3MMP14
SCHEMBL13267482 0.88 ADAMTS4 (0.56) MMP2MMP9MMP13MMP3MMP14
SCHEMBL13267165 0.85 ADAMTS4 (0.54) MMP2MMP9MMP13MMP3MMP14
SCHEMBL32691785 0.84 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP14
SCHEMBL2454204 0.84 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP14
SCHEMBL13244938 0.81 MMP2 (0.55) MMP2MMP9MMP13MMP3ADAMTS4
SCHEMBL13244941 0.80 ADAMTS4 (0.50) MMP2MMP9MMP13MMP3ADAMTS4

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-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO disclosed
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