SCHEMBL6013378

SCHEMBL6013378

CCCc1nc(N(S(C)(=O)=O)S(C)(=O)=O)c(C(=O)OCC)c(-c2ccc(F)cc2)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
POLB P06746 1/20 0.41
GCGR P47871 1/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNG3 O60359 2/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1H O95180 2/20 0.39
ACHE P22303 2/20 0.39
CACNB3 P54284 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNG7 P62955 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNG1 Q06432 2/20 0.39

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
SCHEMBL6013361 0.90 GCGR (0.42) GCGRPTGS2LMNANPC1RAB9A
SCHEMBL5101638 0.85 GCGR (0.58) GAAPOLBGCGRHTTALDH1A1
SCHEMBL6012654 0.83 GAA (0.44) GAAPOLBGCGRHTTALDH1A1
SCHEMBL6013125 0.82 GRM6 (0.46) GAAPOLBGCGRHTTALDH1A1
SCHEMBL6013263 0.78 GCGR (0.48) GAAPOLBGCGRHTTALDH1A1
SCHEMBL6013145 0.78 GCGR (0.43) GAAPOLBGCGRHTTALDH1A1
SCHEMBL5095166 0.77 GCGR (0.55) GAAPOLBGCGRHTTALDH1A1
SCHEMBL6012775 0.73 GCGR (0.52) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5094915 0.72 GCGR (0.59) GCGRALDH1A1LMNANPC1RAB9A
SCHEMBL6013116 0.72 GCGR (0.58) GCGRLMNANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed