SCHEMBL6613591

SCHEMBL6613591

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(C)CSc1cccc(CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.47
PPARG P37231 8/20 0.47
PPARA Q07869 8/20 0.47
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 4/20 0.41
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 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
SCHEMBL6617799 0.91 PPARA (0.44) PPARDPPARGPPARATP53MAPT
SCHEMBL5850832 0.90 PPARG (0.42) PPARDPPARGPPARATP53MAPT
SCHEMBL5850863 0.88 TP53 (0.45) PPARDPPARGPPARATP53MAPT
SCHEMBL5850797 0.87 PPARD (0.45) PPARDPPARGPPARATP53MAPT
SCHEMBL6221959 0.81 PPARD (0.51) PPARDPPARGPPARAMAPTPTPN1
SCHEMBL5051616 0.81 PPARD (0.47) PPARDPPARGPPARATP53MAPT
SCHEMBL5850682 0.81 PPARD (0.45) PPARDPPARGPPARATP53MAPT
SCHEMBL5852080 0.81 PPARD (0.50) PPARDPPARGPPARAPTPN1CYP2C9
SCHEMBL6613589 0.80 PPARD (0.49) PPARDPPARGPPARATP53MAPT
SCHEMBL4675683 0.79 PPARD (0.51) PPARDPPARGPPARATP53MAPT

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-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