SCHEMBL5809552

SCHEMBL5809552

CCCCON=C(COc1cccc(CC(OCC)C(=O)OCC)c1)c1nnc(-c2ccc(F)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.38
▸ PPARA Q07869 12/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADCY1 Q08828 1/20 0.36

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
SCHEMBL5809549 1.00 PPARG (0.38) PPARGPPARAMAPTTSHRALOX15
SCHEMBL5812488 0.96 PPARG (0.40) PPARGPPARAMAPTTSHRALOX15
SCHEMBL5813503 0.93 PPARG (0.44) PPARGPPARA
SCHEMBL5813501 0.93 PPARG (0.44) PPARGPPARA
SCHEMBL5812693 0.92 PPARG (0.45) PPARGPPARAMAPTKDM4EALDH1A1
SCHEMBL5812690 0.92 PPARG (0.45) PPARGPPARAMAPTKDM4EALDH1A1
SCHEMBL5814610 0.89 PPARG (0.46) PPARGPPARATSHRKDM4EMAPK1
SCHEMBL5814614 0.89 PPARG (0.46) PPARGPPARATSHRKDM4EMAPK1
SCHEMBL5815262 0.88 POLB (0.41) PPARGPPARAMAPTTSHRALOX15
SCHEMBL5815263 0.88 POLB (0.41) PPARGPPARAMAPTTSHRALOX15

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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