SCHEMBL6865455

SCHEMBL6865455

CCCC(NS(=O)(=O)c1ccccc1C(=O)O)C(=O)Nc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
PLAU P00749 2/20 0.42
HPN P05981 2/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
PTGES O14684 1/20 0.40

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
SCHEMBL6866173 0.94 CA12 (0.51) CA12CA9CA1CA2MMP1
SCHEMBL7040350 0.91 CA12 (0.48) CA12CA9CA1CA2MMP1
SCHEMBL6868990 0.82 ALDH1A1 (0.55) CA12CA9CA1CA2MMP1
Diethylamine SCHEMBL22229832 0.73 PTGES (0.62) CA12CA9CA1CA2MMP1
SCHEMBL6868015 0.72 PTGES (0.68) CA12CA9CA1CA2MMP1
SCHEMBL31374599 0.72 SPHK1 (0.51) CA12CA9CA1CA2MAPT
SCHEMBL27000244 0.71 CA12 (0.61) CA12CA9CA1CA2MMP1
SCHEMBL6868985 0.71 CA12 (0.58) CA12CA9CA1CA2MMP1
SCHEMBL18136593 0.70 MAPT (0.48) MMP2MMP9MMP8PLAUHPN
SCHEMBL6868979 0.70 CA12 (0.44) CA12CA9CA1CA2MMP1

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-6806291-B1 2-(((4-HYDROXYPHENYL)CARBAMOYL)ALKYLSULFAMOYL)BENZOIC ACIDS; LIMITED HEPATOTOXIC EFFECT THE FOUNDATION FOR THE LSU HEALTH SCIENCES CENTER 2004-10-19 US disclosed