SCHEMBL4349922

SCHEMBL4349922

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PIK3CA P42336 2/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.39
SLC9A1 P19634 1/20 0.39
ADAMTS7 Q9UKP4 3/20 0.39

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 1.00 PTPN2 (0.43) PTPN2PTPN1PIK3CALMNASMN1; SMN2
SCHEMBL4537918 1.00 PTPN2 (0.43) PTPN2PTPN1PIK3CALMNASMN1; SMN2
SCHEMBL4360055 0.93 ALDH1A1 (0.40) PTPN2PTPN1PIK3CALMNASMN1; SMN2
SCHEMBL4353588 0.92 PIK3CA (0.43) PIK3CALMNACYP3A4SLC9A1
SCHEMBL4362452 0.91 EPHX2 (0.37) PTPN2PTPN1PIK3CALMNASMN1; SMN2
SCHEMBL4347963 0.90 NPC1 (0.46) PIK3CALMNAHTTALDH1A1CA12
SCHEMBL4347925 0.89 USP30 (0.40) PIK3CA
SCHEMBL13586033 0.89 LMNA (0.45) PIK3CALMNASMN1; SMN2CYP2C19SLC9A1
SCHEMBL4355152 0.88 CHRM2 (0.38) PIK3CALMNASMN1; SMN2ALDH1A1CA1
SCHEMBL4347838 0.88 NAMPT (0.44) PIK3CALMNASMN1; SMN2HTTNPSR1

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