SCHEMBL13899495

SCHEMBL13899495

Cc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.68
PPARA Q07869 2/20 0.63

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
SCHEMBL5862762 0.90 PPARD (0.72) PPARDPPARA
SCHEMBL3956600 0.85 PPARD (0.67) PPARDPPARA
SCHEMBL5861949 0.83 PPARD (0.68) PPARDPPARA
SCHEMBL5516923 0.82 PPARD (0.80) PPARDPPARA
SCHEMBL3961152 0.82 PPARD (0.68) PPARDPPARA
SCHEMBL5861927 0.82 PPARD (0.61) PPARDPPARA
SCHEMBL3953080 0.81 PPARD (0.70) PPARDPPARA
SCHEMBL13292306 0.81 PPARD (1.00) PPARDPPARA
SCHEMBL13292417 0.81 PPARD (1.00) PPARDPPARA
SCHEMBL5860635 0.80 PPARD (0.68) PPARD

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
US-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 US disclosed
US-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 US disclosed