SCHEMBL7995079

SCHEMBL7995079

O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.70
MMP9 P14780 1/20 0.70
ALDH1A1 P00352 5/20 0.69
HTT P42858 1/20 0.69
GHSR Q92847 4/20 0.67
GAA P10253 1/20 0.56
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL7995082 1.00 MMP2 (0.70) MMP2MMP9ALDH1A1HTTGHSR
SCHEMBL4653160 0.96 MMP2 (0.76) MMP2MMP9ALDH1A1HTTGHSR
SCHEMBL1750430 0.96 MMP2 (0.76) MMP2MMP9ALDH1A1HTTGHSR
SCHEMBL1385016 0.91 ALDH1A1 (0.72) MMP2MMP9ALDH1A1HTTGHSR
SCHEMBL2977278 0.91 ALDH1A1 (0.72) MMP2MMP9ALDH1A1HTTGHSR
SCHEMBL31086908 0.87 MMP2 (0.93) MMP2MMP9GHSR
SCHEMBL23519421 0.86 ALDH1A1 (0.65) MMP2MMP9ALDH1A1HTTGAA
SCHEMBL6996 0.86 ALDH1A1 (0.65) MMP2MMP9ALDH1A1HTTGAA
SCHEMBL6997 0.86 ALDH1A1 (0.65) MMP2MMP9ALDH1A1HTTGAA
SCHEMBL6962263 0.85 ALDH1A1 (0.72) ALDH1A1HTTLMNAMAPTSMN1; SMN2

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
WO-2001010837-A1 MULTIVALENT SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed