SCHEMBL27593856

SCHEMBL27593856

CCC(C)C(NS(=O)(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 10/20 0.68
▸ MMP1 P03956 9/20 0.68
▸ MMP3 P08254 9/20 0.68
▸ MMP7 P09237 9/20 0.68
▸ MMP9 P14780 9/20 0.68
▸ MMP13 P45452 9/20 0.68
▸ MMP14 P50281 1/20 0.68
▸ SLC1A3 P43003 2/20 0.63
▸ SLC1A2 P43004 2/20 0.63
▸ SLC1A1 P43005 2/20 0.63
▸ FPR2 P25090 2/20 0.56

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
SCHEMBL21538660 0.88 MMP9 (0.69) MMP2MMP1MMP3MMP7MMP9
SCHEMBL28216417 0.88 MMP9 (0.69) MMP2MMP1MMP3MMP7MMP9
SCHEMBL15251715 0.87 SLC1A3 (0.60) MMP2MMP1MMP3MMP7MMP9
SCHEMBL15251716 0.87 SLC1A3 (0.60) MMP2MMP1MMP3MMP7MMP9
SCHEMBL2161289 0.86 MMP2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL2161290 0.86 MMP2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL27614261 0.86 MMP2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL27611876 0.85 MMP2 (0.91) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8283336 0.85 MMP2 (0.91) MMP2MMP1MMP3MMP7MMP9
SCHEMBL22234050 0.83 MMP9 (0.70) MMP2MMP1MMP3MMP7MMP9

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
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 — — CN disclosed
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