SCHEMBL6613655

SCHEMBL6613655

Cc1cc(OCCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1CCC(=O)O.Cc1cc(SCCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CSc2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.62
PPARA Q07869 5/20 0.62
PPARG P37231 4/20 0.62
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FFAR1 O14842 1/20 0.49

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
SCHEMBL6618312 0.88 PPARD (0.72) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5509827 0.83 PPARD (0.73) PPARDPPARAPPARGFFAR1
SCHEMBL5509241 0.82 PPARD (0.79) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5512034 0.82 PPARD (0.57) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL6614634 0.82 PPARD (0.85) PPARDPPARAPPARGFFAR1
SCHEMBL5220366 0.81 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5216681 0.80 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL5217642 0.79 PPARD (0.68) PPARDPPARAPPARGFFAR1
SCHEMBL6615055 0.79 PPARD (0.69) PPARDPPARAPPARGFFAR1
Gw501516 SCHEMBL68714 0.78 PPARD (1.00) PPARDPPARAPPARGMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP claimed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO claimed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed