SCHEMBL4353423

SCHEMBL4353423

CC(C)Oc1ccc(C(=O)N2CCC(C3OCc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc4O3)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
GPR119 Q8TDV5 5/20 0.37
TRPC6 Q9Y210 2/20 0.37
PRKAA2 P54646 10/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL4358302 0.88 PIK3CA (0.42) PIK3CAGPR119
SCHEMBL4356151 0.83 GAA (0.42) PIK3CAGPR119
SCHEMBL4535480 0.83 LMNA (0.42) PIK3CAGPR119USP30
SCHEMBL4353588 0.80 PIK3CA (0.43) PIK3CAGPR119USP30
SCHEMBL4347925 0.79 USP30 (0.40) PIK3CAGPR119USP30
SCHEMBL4355330 0.79 GPR119 (0.39) PIK3CAGPR119
SCHEMBL4349922 0.79 PTPN2 (0.43) PIK3CA
SCHEMBL4537918 0.79 PTPN2 (0.43) PIK3CA
SCHEMBL4356473 0.79 PTPN2 (0.43) PIK3CA
SCHEMBL4348569 0.78 GPR119 (0.39) PIK3CAGPR119USP30

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