SCHEMBL4354140

SCHEMBL4354140

CN(C)CCOc1cc(S(C)(=O)=O)ccc1-c1ccc2c(c1)COC(C1CCN(C(=O)OCc3ccccc3)CC1)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
TGM2 P21980 4/20 0.35
F13A1 P00488 3/20 0.35
TGM1 P22735 3/20 0.35
TMEM97 Q5BJF2 4/20 0.35
SIGMAR1 Q99720 4/20 0.35
TRPC3 Q13507 2/20 0.35
TRPC7 Q9HCX4 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4531900 0.96 GPR119 (0.35) SMN1; SMN2NPC1RAB9AGPR119TGM2
SCHEMBL4355151 0.88 TGM2 (0.36) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4350023 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AGPR119TGM2
SCHEMBL4533901 0.87 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AGPR119TGM2
SCHEMBL4526460 0.86 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATGM2F13A1
SCHEMBL4358448 0.85 NPC1 (0.41) SMN1; SMN2NPC1RAB9AGPR119TGM2
Trifluoroacetic Acid SCHEMBL4538218 0.84 TGM2 (0.34) SMN1; SMN2NPC1RAB9AGPR119TGM2
SCHEMBL4347881 0.84 GPR119 (0.42) SMN1; SMN2NPC1RAB9AGPR119TGM2
SCHEMBL4359263 0.81 TGM2 (0.35) SMN1; SMN2NPC1RAB9AGPR119TGM2
SCHEMBL4355670 0.80 TRPV4 (0.38) SMN1; SMN2NPC1RAB9AGPR119TGM2

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