SCHEMBL5815704

SCHEMBL5815704

CCON=C(COc1ccc(CC(OCC)C(=O)OCC)cc1)c1nnc(-c2cccc(Cl)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.43
▸ PPARA Q07869 9/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GPR34 Q9UPC5 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MME P08473 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ FFAR1 O14842 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
SCHEMBL5815701 1.00 PPARG (0.43) PPARGPPARAPPARDTP53KDM4E
SCHEMBL5809650 0.93 PPARG (0.41) PPARGPPARAPPARDTP53KDM4E
SCHEMBL5809189 0.93 PPARA (0.51) PPARGPPARAPPARDGPR34
SCHEMBL5809186 0.93 PPARA (0.51) PPARGPPARAPPARDGPR34
SCHEMBL5809209 0.90 POLB (0.44) PPARGPPARAPPARDTP53KDM4E
SCHEMBL5810168 0.86 POLB (0.41) PPARGPPARATP53KDM4EMAPT
SCHEMBL5813524 0.86 POLB (0.46) PPARGPPARAPPARDTP53KDM4E
SCHEMBL5810162 0.86 POLB (0.41) PPARGPPARATP53KDM4EMAPT
SCHEMBL5814678 0.86 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5813522 0.86 POLB (0.46) PPARGPPARAPPARDTP53KDM4E

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-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 — — WO disclosed
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