SCHEMBL14636108

SCHEMBL14636108

COc1ccc(S(=O)(=O)NC#CC[C@@H](C(=O)NO)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.52
MMP1 P03956 12/20 0.52
MMP9 P14780 14/20 0.46
ADAM17 P78536 9/20 0.46
MMP2 P08253 5/20 0.46
MMP8 P22894 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.45
MEP1B Q16820 1/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
ADAM10 O14672 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL14636268 0.88 MMP2 (0.51) MMP13MMP1MMP9MMP2MMP8
SCHEMBL14636309 0.87 SLC1A3 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7376000 0.72 MMP9 (0.74) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7375998 0.72 MMP9 (0.74) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7417565 0.72 MMP9 (0.64) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL5226437 0.71 MMP13 (0.58) MMP13MMP1MMP9MMP2MMP8
SCHEMBL1565606 0.71 MMP13 (0.58) MMP13MMP1MMP9MMP2MMP8
SCHEMBL6928607 0.69 MMP1 (1.00) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7416701 0.69 ALDH1A1 (0.58) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6934594 0.69 MMP1 (0.73) MMP13MMP1MMP9ADAM17MMP2

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-2013010573-A1 COMPOUNDS WITH MATRIX-METALLOPROTEINASE INHIBITORY ACTIVITY UNIVERSITAET MUENSTER (DE) 2013-01-24 WO disclosed