SCHEMBL16705449

SCHEMBL16705449

O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(I)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 16/20 0.59
▸ MMP2 P08253 16/20 0.59
▸ MMP9 P14780 16/20 0.59
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ TRPA1 O75762 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ AKR1B10 O60218 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ APP P05067 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL9973849 0.87 MMP1 (0.63) MMP1MMP2MMP9MAOAMAOB
SCHEMBL16705459 0.86 MEN1 (0.61) MMP1MMP2MMP9MAOAMAOB
SCHEMBL10005257 0.85 MMP1 (0.66) MMP1MMP2MMP9MAOAMAOB
SCHEMBL14515853 0.85 MMP1 (0.64) MMP1MMP2MMP9MAOAMAOB
SCHEMBL2851499 0.83 MMP1 (0.75) MMP1MMP2MMP9MAOAMAOB
SCHEMBL30335821 0.83 MMP1 (0.75) MMP1MMP2MMP9MAOAMAOB
SCHEMBL30538697 0.83 MMP1 (0.75) MMP1MMP2MMP9MAOAMAOB
SCHEMBL2851492 0.83 MMP1 (0.75) MMP1MMP2MMP9MAOAMAOB
SCHEMBL4199528 0.81 MMP1 (0.64) MMP1MMP2MMP9MAOAMAOB
SCHEMBL4199523 0.81 MMP1 (0.64) 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-1959915-B1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE AG (DE) 2015-05-13 — — EP disclosed
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