SCHEMBL6164628

SCHEMBL6164628

CCC(Oc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cn3)cc2C)cc1C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.47
PPARA Q07869 5/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.42
PPARG P37231 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 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
SCHEMBL5861000 0.88 PPARD (0.54) PPARDPPARAPPARGFFAR1
SCHEMBL5860763 0.87 SMN1; SMN2 (0.42) PPARDPPARAPTGDR2PPARGSMN1; SMN2
SCHEMBL5861731 0.85 PPARD (0.62) PPARDPPARAFFAR1
SCHEMBL5860755 0.85 PTGDR2 (0.48) PPARDPPARAPTGDR2PPARGSMN1; SMN2
SCHEMBL5862790 0.84 PPARD (0.46) PPARDPPARAPTGDR2PPARGSMN1; SMN2
SCHEMBL5861691 0.80 PPARD (0.48) PPARDPPARAPTGDR2PPARGSMN1; SMN2
SCHEMBL5860613 0.80 PPARD (0.49) PPARDPPARAPTGDR2PPARGSMN1; SMN2
SCHEMBL5862807 0.77 SMN1; SMN2 (0.50) PPARDPPARAPTGDR2PPARGSMN1; SMN2
SCHEMBL5860715 0.77 PPARD (0.51) PPARDPPARAPTGDR2
SCHEMBL5861915 0.73 PPARD (0.56) PPARDPPARAPTGDR2PPARG

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
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed