SCHEMBL2453682

SCHEMBL2453682

NC(CN(CC(=O)O)CC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CA1 P00915 16/20 0.42
CA2 P00918 16/20 0.42
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA4 P22748 4/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3423871 0.86 KEAP1 (0.49) KEAP1NFE2L2CA1CA2CA12
SCHEMBL564497 0.82 CA2 (0.45) KEAP1NFE2L2CA1CA2CA12
SCHEMBL3724960 0.80 ALOX15 (0.42) KEAP1NFE2L2CA1CA2CA4
SCHEMBL27767604 0.78 GABBR2 (0.43) CA1CA2CA12CA9CA4
SCHEMBL27560669 0.75 MMP13 (0.44) CA1CA2ALDH1A1
SCHEMBL27625448 0.73 ALDH1A1 (0.41) CA1CA2CA12CA9CA4
SCHEMBL8732760 0.71 CA12 (0.44) CA1CA2CA12CA9CA4
SCHEMBL28895074 0.70 PSIP1 (0.50) CA1CA2CA12CA9CA4
Hydrochloric Acid SCHEMBL29141929 0.70 CA12 (0.43) CA1CA2CA12CA9CA4
SCHEMBL453898 0.69 KDM4E (0.43) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552202-A1 METHODS AND COMPOSITIONS FOR WEIGHT LOSS SDG, Inc. (US) 2013-02-06 EP disclosed
WO-2011119953-A1 METHODS AND COMPOSITIONS FOR WEIGHT LOSS SDG, INC. (US) 2011-09-29 WO disclosed