SCHEMBL4534568

SCHEMBL4534568

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccc[nH]4)CC2)O3)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PIK3CA P42336 4/20 0.38
USP30 Q70CQ3 1/20 0.36
SLC9A1 P19634 2/20 0.35
TACR3 P29371 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
CYP3A4 P08684 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FASN P49327 1/20 0.32
PTGS2 P35354 1/20 0.32
HPGDS O60760 1/20 0.32
BRD4 O60885 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
SCHEMBL4356473 0.86 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4349922 0.86 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4537918 0.86 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4347925 0.85 USP30 (0.40) PIK3CAUSP30GPR119KDM1AMAOA
SCHEMBL4355152 0.84 CHRM2 (0.38) CA1CA2CA9PIK3CAUSP30
SCHEMBL4353473 0.84 PTPN2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL4353588 0.84 PIK3CA (0.43) PIK3CAUSP30SLC9A1GPR119CYP3A4
SCHEMBL4356151 0.83 GAA (0.42) PIK3CASLC9A1GPR119
SCHEMBL4347963 0.83 NPC1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL4347874 0.83 KDM1A (0.41) PIK3CAUSP30SLC9A1GPR119KDM1A

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