SCHEMBL4602285

SCHEMBL4602285

CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.56
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL3211203 0.90 PPARG (0.55) PPARG
SCHEMBL3217588 0.90 PPARG (0.59) PPARGCNR1CNR2
SCHEMBL3206932 0.83 PPARG (0.61) PPARGCNR1CNR2
SCHEMBL3217121 0.81 PPARG (0.67) PPARG
SCHEMBL3219476 0.81 PPARG (0.59) PPARGCNR1CNR2
SCHEMBL3202441 0.78 PPARG (0.56) PPARGCNR1CNR2
Water SCHEMBL3217807 0.78 PPARG (0.70) PPARG
Water SCHEMBL3217812 0.78 PPARG (0.70) PPARG
SCHEMBL3221830 0.76 PPARG (0.82) PPARG
SCHEMBL3202465 0.76 PPARG (0.58) PPARG

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