SCHEMBL14290081

SCHEMBL14290081

Cc1ccc(C=O)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 12/20 0.64
▸ MMP2 P08253 12/20 0.64
▸ MMP9 P14780 12/20 0.64
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTGS2 P35354 1/20 0.51

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
SCHEMBL14290051 0.87 BCHE (0.58) MMP1MMP2MMP9MAOAMAOB
SCHEMBL14515853 0.85 MMP1 (0.64) MMP1MMP2MMP9MAOAMAOB
SCHEMBL13352031 0.83 MMP1 (0.75) MMP1MMP2MMP9MAOAMAOB
SCHEMBL14290072 0.81 MAPT (0.49) MMP1MMP2MMP9MAPTGAA
SCHEMBL14290028 0.80 MMP1 (0.63) MMP1MMP2MMP9MAOAMAOB
SCHEMBL16274505 0.79 MMP1 (1.00) MMP1MMP2MMP9MAPTSMN1; SMN2
SCHEMBL12723528 0.78 MMP1 (0.65) MMP1MMP2MMP9MAOAMAOB
SCHEMBL12723530 0.78 MMP1 (0.65) MMP1MMP2MMP9MAOAMAOB
SCHEMBL14290060 0.76 KDM1A (0.67) MMP1MMP2MMP9MAOAMAOB
SCHEMBL14242077 0.76 PELI1 (0.62) MMP1MMP2MMP9MAOAMAOB

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-1886662-A1 Anti-microbial compounds for treating bad breath Symrise GmbH & Co. KG (DE) 2008-02-13 — — EP disclosed
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