SCHEMBL4533901

SCHEMBL4533901

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCc4ccccc4)CC2)O3)c(I)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TGM2 P21980 8/20 0.38
F13A1 P00488 7/20 0.38
TGM1 P22735 7/20 0.38
CYP2C19 P33261 1/20 0.38
TRPC3 Q13507 2/20 0.38
TRPC7 Q9HCX4 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GRIN2B Q13224 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4350023 0.91 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4526460 0.90 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4358448 0.89 NPC1 (0.41) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4354140 0.87 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4355151 0.86 TGM2 (0.36) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4347881 0.86 GPR119 (0.42) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4359263 0.85 TGM2 (0.35) SMN1; SMN2NPC1RAB9ATGM2F13A1
Trifluoroacetic Acid SCHEMBL4531900 0.84 GPR119 (0.35) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4355670 0.84 TRPV4 (0.38) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4351624 0.83 ENPP2 (0.44) SMN1; SMN2NPC1RAB9ATGM2F13A1

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