SCHEMBL18023396

SCHEMBL18023396

NN(O)C(=O)C(NC(=O)c1ccc(/C=C/C#Cc2ccc(CN3CCOCC3)cc2)cc1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

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 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 2/20 0.41
▸ EPAS1 Q99814 2/20 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
SCHEMBL13245313 0.89 MMP13 (0.47) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL13245276 0.87 MMP13 (0.47) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL13245282 0.83 MMP13 (0.44) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL13984728 0.83 MMP13 (0.44) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL13244524 0.80 MMP13 (0.44) MMP13MMP2MMP8MMP9NPC1
SCHEMBL3018715 0.80 MMP13 (0.44) MMP13MMP2MMP8MMP9NPC1
SCHEMBL3014393 0.80 MMP13 (0.44) MMP13MMP2MMP8MMP9NPC1
SCHEMBL3018729 0.80 MMP13 (0.44) MMP13MMP2MMP8MMP9NPC1
SCHEMBL13244680 0.80 MMP13 (0.44) MMP13MMP2MMP8MMP9NPC1
SCHEMBL3014407 0.80 MMP13 (0.44) MMP13MMP2MMP8MMP9NPC1

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
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
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