SCHEMBL4526460

SCHEMBL4526460

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCc4ccccc4)CC2)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C19 P33261 1/20 0.42
TGM2 P21980 7/20 0.41
F13A1 P00488 6/20 0.41
TGM1 P22735 6/20 0.41
TRPC3 Q13507 2/20 0.41
TRPC7 Q9HCX4 2/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
CHRM2 P08172 1/20 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
SCHEMBL4351624 0.91 ENPP2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4347881 0.91 GPR119 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4350023 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4533901 0.90 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4358448 0.88 NPC1 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4533655 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL4354140 0.86 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4355143 0.86 GPR119 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL4536272 0.85 KMT2A (0.43) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4355151 0.85 TGM2 (0.36) SMN1; SMN2NPC1RAB9ACYP2C19TGM2

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