SCHEMBL4356412

SCHEMBL4356412

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCNCC2)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTGS2 P35354 9/20 0.36
PLAT P00750 1/20 0.36
DPP4 P27487 1/20 0.34
PIK3CA P42336 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PNMT P11086 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL4347925 0.82 USP30 (0.40) SLC6A2SLC6A4SLC6A3PTGS2DPP4
SCHEMBL9936211 0.81 GPR119 (0.45) SLC6A2SLC6A4SLC6A3PTGS2PLAT
Hydrochloric Acid SCHEMBL15007649 0.81 GPR119 (0.45) SLC6A2SLC6A4SLC6A3PTGS2PLAT
SCHEMBL4349922 0.80 PTPN2 (0.43) PIK3CA
SCHEMBL4356473 0.80 PTPN2 (0.43) PIK3CA
SCHEMBL4537918 0.80 PTPN2 (0.43) PIK3CA
SCHEMBL4534568 0.80 CA12 (0.39) PTGS2PIK3CAUSP30
SCHEMBL4347874 0.79 KDM1A (0.41) PIK3CAUSP30
SCHEMBL4353588 0.79 PIK3CA (0.43) PIK3CAUSP30
SCHEMBL13586047 0.79 CYP1A2 (0.43) HRH3

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