SCHEMBL4362452

SCHEMBL4362452

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)C(=O)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.37
EPHX1 P07099 3/20 0.37
KCNH2 Q12809 1/20 0.37
USP30 Q70CQ3 1/20 0.36
PIK3CA P42336 2/20 0.36
NPY2R P49146 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
PTGS2 P35354 1/20 0.34
DPP4 P27487 1/20 0.34
FFAR2 O15552 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4537918 0.91 PTPN2 (0.43) PIK3CAPTPN2PTPN1LMNAHTT
SCHEMBL4349922 0.91 PTPN2 (0.43) PIK3CAPTPN2PTPN1LMNAHTT
SCHEMBL4356473 0.91 PTPN2 (0.43) PIK3CAPTPN2PTPN1LMNAHTT
SCHEMBL4347925 0.88 USP30 (0.40) EPHX2EPHX1KCNH2USP30PIK3CA
SCHEMBL4353464 0.85 CYP3A4 (0.37) EPHX2USP30NPY2RAKR1C3AKR1C1
SCHEMBL4360055 0.84 ALDH1A1 (0.40) PIK3CADPP4PTPN2PTPN1LMNA
SCHEMBL4347963 0.83 NPC1 (0.46) PIK3CAAKR1C1PTGS2LMNAHTT
SCHEMBL4347874 0.83 KDM1A (0.41) EPHX2USP30PIK3CAGPR119
SCHEMBL4355152 0.83 CHRM2 (0.38) USP30PIK3CALMNASMN1; SMN2
SCHEMBL4353588 0.83 PIK3CA (0.43) EPHX2USP30PIK3CAGPR119LMNA

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