SCHEMBL3470504

SCHEMBL3470504

Cn1cc(CC(C(=O)O)C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LDHA P00338 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 2/20 0.40
GAA P10253 1/20 0.40
ACACB O00763 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ERCC5 P28715 1/20 0.38
TSHR P16473 1/20 0.37
GRM2 Q14416 1/20 0.37
EPHX2 P34913 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
SCHEMBL21879115 0.84 GRIA1 (0.49) GRNSORT1HSD17B10
SCHEMBL25353489 0.84 GRIA1 (0.49) GRNSORT1HSD17B10
SCHEMBL21946640 0.84 GRIA1 (0.49) GRNSORT1HSD17B10
SCHEMBL21197744 0.82 PPARA (0.41) GRNSORT1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25355538 0.82 GRN (0.48) GRNSORT1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25355540 0.82 GRN (0.48) GRNSORT1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL23932728 0.82 GRM2 (0.41) ALDH1A1SMN1; SMN2L3MBTL1HTTGAA
SCHEMBL7005064 0.82 GRN (0.39) GRNSORT1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3470417 0.79 TSHR (0.44) ALDH1A1LDHAL3MBTL1GAAKMT2A
SCHEMBL3091308 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1HTTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed