SCHEMBL4355702

SCHEMBL4355702

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ncccc4O)CC2)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PTGS2 P35354 1/20 0.35
GPR119 Q8TDV5 7/20 0.35
SPR P35270 1/20 0.35
LRRK2 Q5S007 2/20 0.34
USP30 Q70CQ3 1/20 0.34
CALCRL Q16602 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4357301 0.87 PIK3CA (0.35) PIK3CAPTGS2GPR119LRRK2USP30
SCHEMBL4356151 0.87 GAA (0.42) PIK3CAGPR119
SCHEMBL4355152 0.86 CHRM2 (0.38) PIK3CAUSP30CHRM2
SCHEMBL4353588 0.85 PIK3CA (0.43) PIK3CAGPR119USP30
SCHEMBL4349922 0.84 PTPN2 (0.43) PIK3CA
SCHEMBL4356473 0.84 PTPN2 (0.43) PIK3CA
SCHEMBL4537918 0.84 PTPN2 (0.43) PIK3CA
SCHEMBL4348569 0.83 GPR119 (0.39) PIK3CAPTGS2GPR119USP30CYP11B2
SCHEMBL4535480 0.83 LMNA (0.42) PIK3CAGPR119USP30CYP11B2
SCHEMBL4347925 0.82 USP30 (0.40) PIK3CAPTGS2GPR119LRRK2USP30

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