SCHEMBL10420388

SCHEMBL10420388

N#Cc1ccc(S(=O)(=O)CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.58
▸ MMP7 P09237 1/20 0.58
▸ MMP14 P50281 1/20 0.58
▸ FFAR1 O14842 2/20 0.54
▸ MAPT P10636 1/20 0.53
▸ KEAP1 Q14145 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.48
▸ EEF2K O00418 1/20 0.48
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CYP19A1 P11511 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
SCHEMBL19183052 0.80 KDM1A (0.48) MMP2MMP7MAPTEEF2KCA1
SCHEMBL941038 0.80 ALDH1A1 (0.54) MMP2MMP7MMP14MAPTCA1
SCHEMBL28478771 0.79 FFAR1 (0.62) MMP2MMP7MMP14FFAR1
SCHEMBL2338967 0.79 MAPT (0.58) MMP2FFAR1MAPTKEAP1NFE2L2
SCHEMBL1981537 0.76 MMP2 (0.66) MMP2MMP7MMP14FFAR1CA2
SCHEMBL506270 0.76 MAPT (0.55) MAPTCA1CA2CA12CA9
SCHEMBL6203735 0.76 RECQL (0.66) MAPTCA1CA2CA12CA9
SCHEMBL6319697 0.76 GSK3B (0.53) CA1CA2MAOAMAOB
SCHEMBL270706 0.76 MMP2 (0.77) MMP2MMP7MMP14
SCHEMBL1014212 0.76 CA2 (0.58) MAPTCA1CA2CA12CA9

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
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 — — US disclosed
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