SCHEMBL6017141

SCHEMBL6017141

O=C(O)Cc1c[nH]c2cc(OCCc3cnc(-c4ccc(C(F)(F)F)cc4)nc3C3CC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.39
PPARD Q03181 13/20 0.39
PPARG P37231 5/20 0.37
FFAR1 O14842 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL5617383 0.93 PPARD (0.43) PPARAPPARDPPARGFFAR1
SCHEMBL6017230 0.90 PKM (0.38) PPARAPPARDPPARGTRPV1
SCHEMBL6017240 0.86 KDM4E (0.43) PPARAPPARDPPARGTRPV1
SCHEMBL6017580 0.83 MAOB (0.40) PPARAPPARDTRPV1
SCHEMBL1227421 0.80 PTGDR2 (0.41) FFAR1
SCHEMBL5617384 0.79 PPARD (0.45) PPARAPPARDPPARGTRPV1
SCHEMBL6052643 0.79 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL1378661 0.78 PPARD (0.59) PPARAPPARDPPARG
SCHEMBL5628880 0.77 PPARD (0.49) PPARAPPARDPPARG
SCHEMBL6017387 0.77 TRPV1 (0.40) PPARAPPARDPPARGTRPV1

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-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed