SCHEMBL6945635

SCHEMBL6945635

CN(CCOc1ccc(Cl)cc1)S(=O)(=O)CC1(C(=O)NO)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 11/20 0.59
▸ MMP2 P08253 9/20 0.59
▸ MMP8 P22894 9/20 0.59
▸ MMP9 P14780 7/20 0.59
▸ MMP1 P03956 5/20 0.59
▸ ADAM17 P78536 2/20 0.59
▸ MMP3 P08254 2/20 0.59
▸ MMP7 P09237 2/20 0.59
▸ MMP14 P50281 2/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ MMP10 P09238 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6946607 0.89 SMN1; SMN2 (0.47) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6946625 0.85 MAPT (0.46) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6946993 0.84 SMN1; SMN2 (0.44) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6727302 0.81 MMP13 (0.64) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6953375 0.81 SMN1; SMN2 (0.46) MMP13MMP2MMP8MMP9MMP1
Cts-1027 SCHEMBL2381112 0.75 MMP1 (1.00) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6727303 0.73 MMP13 (0.62) MMP13MMP2MMP8MMP9MMP1
SCHEMBL15505956 0.70 MMP1 (0.81) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6947449 0.70 HRH3 (0.46) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6727248 0.69 MMP13 (0.52) MMP13MMP2MMP8MMP9MMP1

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-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 — — EP claimed
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