SCHEMBL5708274

SCHEMBL5708274

O=C(O)COc1ccc(SC(c2ccc(C(F)(F)F)cc2)c2cccc3[nH]ncc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.43
PPARD Q03181 15/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 1/20 0.38

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
SCHEMBL3961095 0.87 PPARD (0.55) PPARDPPARA
SCHEMBL3965058 0.86 PPARD (0.46) TRPV1PPARDPPARA
SCHEMBL3964640 0.85 TRPV1 (0.44) TRPV1PPARDPPARGPPARA
SCHEMBL4792460 0.83 PPARD (0.42) PPARDPPARGPPARA
SCHEMBL3964879 0.79 TRPV1 (0.42) TRPV1PPARDPPARGPPARA
SCHEMBL3965580 0.78 PPARD (0.45) TRPV1PPARDPPARA
SCHEMBL3964385 0.76 PPARD (0.46) TRPV1PPARDPPARGPPARA
SCHEMBL3964305 0.73 PPARD (0.55) PPARDPPARA
SCHEMBL3966218 0.73 TRPV1 (0.44) TRPV1
SCHEMBL4792890 0.72 PTPN1 (0.40) 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
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP claimed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed