SCHEMBL4536658

SCHEMBL4536658

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.39
PIK3CA P42336 3/20 0.37
PIK3CD O00329 3/20 0.34
PRKDC P78527 1/20 0.34
PIP5K1C O60331 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
KCNH2 Q12809 1/20 0.33
CTSC P53634 1/20 0.33
ATR Q13535 2/20 0.32
ATRIP Q8WXE1 1/20 0.31

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
SCHEMBL13586066 0.88 GPR119 (0.46) GPR119
SCHEMBL4347925 0.85 USP30 (0.40) GPR119PIK3CAKCNH2
SCHEMBL4538479 0.84 GPR119 (0.41) GPR119PIK3CAKCNH2CTSC
SCHEMBL4529829 0.82 GPR142 (0.43)
SCHEMBL4538191 0.82 TNKS (0.41) GPR119PIK3CAKCNH2
SCHEMBL4540933 0.81 CYP11B1 (0.44) PIK3CA
SCHEMBL4540460 0.80 SMN1; SMN2 (0.43) PIK3CA
SCHEMBL4356487 0.79 ROCK2 (0.36) GPR119PIK3CAPIK3CGKCNH2
SCHEMBL4535866 0.77 GPR119 (0.36) GPR119PIK3CA
SCHEMBL4535480 0.77 LMNA (0.42) GPR119PIK3CA

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed