SCHEMBL27737201

SCHEMBL27737201

CC(C)Oc1cc(CCC(C)C(=O)O)n(Cc2ccc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.62
PTGDR2 Q9Y5Y4 2/20 0.40

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
SCHEMBL3209272 0.89 PPARG (0.77) PPARGPTGDR2
SCHEMBL3211008 0.85 PPARG (0.60) PPARGPTGDR2
SCHEMBL5109249 0.85 PPARG (0.63) PPARG
SCHEMBL3195634 0.84 PPARG (0.67) PPARG
SCHEMBL3212898 0.79 PPARG (0.71) PPARGPTGDR2
SCHEMBL3212887 0.79 PPARG (0.71) PPARGPTGDR2
SCHEMBL3202785 0.77 PPARG (1.00) PPARG
SCHEMBL5119377 0.77 PPARG (0.82) PPARGPTGDR2
SCHEMBL3217673 0.75 PPARG (1.00) PPARG
SCHEMBL3195607 0.75 PPARG (0.66) PPARGPTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed