Sugi Predict

Sugi Predict / Compounds / SCHEMBL6533696

SCHEMBL6533696

SCHEMBL6533696

COc1c(COc2ccc(CC(C(=O)O)C(C)=NOCc3ccc(F)cc3)cc2)cnn1-c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 15/20 0.47
▸ PPARA Q07869 15/20 0.47
▸ NPBWR1 P48145 2/20 0.40
▸ MCHR1 Q99705 2/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ BCL2 P10415 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL6531714 0.94 PPARG (0.41) PPARGPPARANPBWR1MCHR1FFAR1
SCHEMBL6531716 0.94 PPARG (0.41) PPARGPPARANPBWR1MCHR1FFAR1
SCHEMBL6533954 0.77 PPARG (0.49) PPARGPPARA
SCHEMBL6532459 0.77 PPARG (0.49) PPARGPPARA
SCHEMBL6532611 0.76 PPARG (0.51) PPARGPPARA
SCHEMBL6532606 0.76 PPARG (0.51) PPARGPPARA
SCHEMBL6532813 0.76 PPARG (0.53) PPARGPPARA
SCHEMBL6532807 0.76 PPARG (0.53) PPARGPPARA
SCHEMBL6504947 0.76 FFAR1 (0.57) PPARGPPARAFFAR1
SCHEMBL6529368 0.76 FFAR1 (0.57) PPARGPPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 — — WO claimed