SCHEMBL4359263

SCHEMBL4359263

CC(C)NCCNc1cc(S(C)(=O)=O)ccc1-c1ccc2c(c1)COC(C1CCN(C(=O)OCc3ccccc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.35
TGM1 P22735 7/20 0.35
F13A1 P00488 6/20 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
MMP8 P22894 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRIN2B Q13224 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
TRPC3 Q13507 2/20 0.34
TRPC7 Q9HCX4 2/20 0.34
PIK3CG P48736 1/20 0.34
CYP3A4 P08684 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
Trifluoroacetic Acid SCHEMBL4531639 0.96 GPR119 (0.34) TGM2TGM1F13A1MMP1MMP2
SCHEMBL4355151 0.91 TGM2 (0.36) TGM2TGM1F13A1MMP1MMP2
SCHEMBL4355670 0.89 TRPV4 (0.38) TGM2TGM1F13A1MMP1MMP2
Trifluoroacetic Acid SCHEMBL4538218 0.87 TGM2 (0.34) TGM2TGM1F13A1MMP1MMP2
Trifluoroacetic Acid SCHEMBL4521875 0.85 TRPV4 (0.40) TGM2TGM1F13A1MMP1MMP2
SCHEMBL4350023 0.85 SMN1; SMN2 (0.40) TGM2TGM1F13A1MMP1MMP2
SCHEMBL4533901 0.85 SMN1; SMN2 (0.39) TGM2TGM1F13A1MMP1MMP2
SCHEMBL4526460 0.84 SMN1; SMN2 (0.43) TGM2TGM1F13A1MMP1MMP2
SCHEMBL4358448 0.83 NPC1 (0.41) TGM2TGM1F13A1MMP1MMP2
SCHEMBL4354140 0.81 SMN1; SMN2 (0.36) TGM2TGM1F13A1MMP1MMP2

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