SCHEMBL8671394

SCHEMBL8671394

COc1ccc(S(=O)(=O)[C@]2(NCC(=O)OCc3ccccc3)CC[C@@](C)(O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 11/20 0.45
▸ MMP9 P14780 11/20 0.45
▸ MMP13 P45452 10/20 0.45
▸ ADAM17 P78536 6/20 0.45
▸ MMP3 P08254 4/20 0.43
▸ MMP7 P09237 2/20 0.43
▸ MMP2 P08253 3/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ APP P05067 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL8675935 0.74 MMP9 (0.41) MMP1MMP9MMP13ADAM17MMP3
SCHEMBL7419400 0.73 KCNA5 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL11453114 0.69 ALDH1A1 (0.56) GAACA1CA2ACHEALDH1A1
SCHEMBL209395 0.68 KMT2A (0.59) GAAALDH1A1KMT2A
SCHEMBL7350978 0.68 KCNA5 (0.54) MMP1MMP9MMP13MMP3MMP2
SCHEMBL26381709 0.67 PKM (0.53) MMP1MMP9MMP13MMP3MMP2
SCHEMBL6560866 0.67 HIF1A (0.56) GAAALDH1A1KMT2A
SCHEMBL1521953 0.67 LTA4H (0.58) MMP1MMP9ACHEALDH1A1
SCHEMBL5678202 0.67 MMP1 (0.50) MMP1MMP9MMP13ADAM17MMP3
SCHEMBL28329266 0.67 CA1 (0.48) MMP1MMP9MMP13ADAM17MMP3

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
US-5770624-A INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA AND MATRIX DEGRADING METALLOPROTEINEASE ACTIVITY NOVARTIS CORP. (US) 1998-06-23 — — US disclosed
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