SCHEMBL6946993

SCHEMBL6946993

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MMP13 P45452 11/20 0.43
▸ MMP2 P08253 9/20 0.43
▸ MMP8 P22894 9/20 0.43
▸ MMP9 P14780 7/20 0.43
▸ MMP1 P03956 5/20 0.43
▸ ADAM17 P78536 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP7 P09237 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ MMP10 P09238 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ USP2 O75604 1/20 0.38

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
SCHEMBL6953375 0.89 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1MMP13MMP2MMP8
SCHEMBL6945635 0.84 MMP13 (0.59) SMN1; SMN2L3MBTL1MMP13MMP2MMP8
SCHEMBL6946607 0.81 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MMP13MMP2MMP8
SCHEMBL6946625 0.78 MAPT (0.46) SMN1; SMN2L3MBTL1MMP13MMP2MMP8
SCHEMBL6976225 0.71 MMP13 (0.45) SMN1; SMN2MMP13MMP2MMP8MMP9
SCHEMBL6976767 0.70 USP2 (0.45) SMN1; SMN2L3MBTL1MMP13MMP2MMP8
SCHEMBL6265897 0.69 ADAM17 (0.61) MMP13MMP2MMP9MMP1ADAM17
SCHEMBL6947449 0.68 HRH3 (0.46) SMN1; SMN2L3MBTL1MMP13MMP2MMP8
SCHEMBL6727302 0.68 MMP13 (0.64) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6946483 0.64 MEN1 (0.46) SMN1; SMN2L3MBTL1RAB9AATMHRH3

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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