SCHEMBL2654841

SCHEMBL2654841

CS(=O)(=O)c1ccc([C@@]2(C(=O)O)C[C@H]2C2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.60
CNR2 P34972 1/20 0.45
KMT2A Q03164 3/20 0.44
EPHX2 P34913 1/20 0.40
PTGS2 P35354 6/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.37
CLK1 P49759 1/20 0.36
HSD11B1 P28845 2/20 0.35
ENPP2 Q13822 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1581747 1.00 GCK (0.60) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL1582235 0.99 GCK (0.58) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL9892936 0.89 GCK (0.60) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL2666200 0.88 GCK (0.59) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL1581861 0.86 GCK (0.57) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL9072639 0.86 GCK (0.57) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL1107322 0.86 GCK (0.57) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL1581698 0.86 GCK (0.60) GCKCNR2KMT2AEPHX2PTGS2
SCHEMBL1581983 0.86 GCK (0.49) GCKKMT2APTGS2MEN1SMN1; SMN2
SCHEMBL1582297 0.86 GCK (0.47) GCKCNR2KMT2AEPHX2HSD11B1

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-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed