SCHEMBL6953375

SCHEMBL6953375

CN(CCOc1ccc(Cl)cc1)S(=O)(=O)CC1(OC(=O)O)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAB9A P51151 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MMP1 P03956 4/20 0.39
▸ MMP13 P45452 4/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ MMP7 P09237 2/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ MMP10 P09238 1/20 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
SCHEMBL6946993 0.89 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1RAB9AATMHRH3
SCHEMBL6946607 0.85 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1RAB9AATMHRH3
SCHEMBL6976767 0.81 USP2 (0.45) SMN1; SMN2L3MBTL1HRH3USP2MMP1
SCHEMBL6945635 0.81 MMP13 (0.59) SMN1; SMN2L3MBTL1MMP1MMP13MMP9
SCHEMBL6946625 0.80 MAPT (0.46) SMN1; SMN2L3MBTL1RAB9AATMHRH3
SCHEMBL6969747 0.72 MMP13 (0.50) L3MBTL1MMP1MMP13MMP9MMP2
SCHEMBL6952614 0.69 MMP13 (0.52) SMN1; SMN2HRH3MMP1MMP13MMP9
SCHEMBL6946483 0.68 MEN1 (0.46) SMN1; SMN2L3MBTL1RAB9AATMHRH3
SCHEMBL6735645 0.68 MMP1 (0.47) SMN1; SMN2L3MBTL1USP2MMP1MMP13
SCHEMBL6948498 0.66 MEN1 (0.43) 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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