SCHEMBL6442322

SCHEMBL6442322

CCOC(=O)C(Cc1ccc(OCCC=Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C)OCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.48
PPARA Q07869 12/20 0.48
PPARG P37231 8/20 0.48
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
FFAR1 O14842 3/20 0.39

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
SCHEMBL6439539 0.94 PPARA (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL6438846 0.85 PPARD (0.59) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL6437776 0.84 PPARD (0.57) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL3374589 0.84 PPARD (0.68) PPARDPPARAPPARGFFAR1
SCHEMBL3372520 0.83 PPARG (0.49) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL3374011 0.80 PPARD (0.48) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL6439572 0.80 PPARD (0.53) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL3368269 0.80 PPARD (0.49) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL6439685 0.80 PPARA (0.46) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL3372503 0.79 PPARD (0.47) PPARDPPARAPPARGKDM4EMEN1

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-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed