SCHEMBL4633209

SCHEMBL4633209

COCCOc1ccc(CCCOC(=O)N(S(=O)(=O)NCCOC(C)C)S(=O)(=O)NCCOC(C)C)c(OC2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MET P08581 1/20 0.34
TPH1 P17752 1/20 0.34
RAB9A P51151 1/20 0.34
MMP2 P08253 4/20 0.33
MMP3 P08254 4/20 0.33
MMP13 P45452 4/20 0.33
MMP1 P03956 3/20 0.33
ADRB3 P13945 1/20 0.33
AGER Q15109 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ERBB2 P04626 1/20 0.33
MMP7 P09237 2/20 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
SCHEMBL27737146 0.88 PPARG (0.43) PPARGCNR1CNR2METTPH1
SCHEMBL27716295 0.79 PPARG (0.44) PPARGCNR1CNR2METADRB3
SCHEMBL3206619 0.76 PPARG (0.42) PPARGCNR1CNR2MMP2MMP3
SCHEMBL28771266 0.76 PPARG (0.43) PPARGCNR1CNR2MMP2MMP3
SCHEMBL27737202 0.75 PPARG (0.43) PPARGMETADRB3
SCHEMBL27716255 0.75 PPARG (0.44) PPARGCNR1CNR2MET
SCHEMBL27716297 0.74 PPARG (0.43) PPARGMET
SCHEMBL27716270 0.74 PPARG (0.43) PPARGCNR1CNR2METTPH1
SCHEMBL27737216 0.74 PPARG (0.40) PPARGRAB9A
SCHEMBL3213102 0.73 CNR1 (0.38) PPARGCNR1CNR2METAGER

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed