SCHEMBL5802170

SCHEMBL5802170

CCCO/N=C(/COc1cccc(CC(OCC)C(=O)OCC)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.42
▸ PPARA Q07869 8/20 0.42
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HAVCR2 Q8TDQ0 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL5802172 1.00 PPARG (0.42) PPARGPPARAMAPTTP53SMN1; SMN2
SCHEMBL5799644 0.95 PPARG (0.43) PPARGPPARAMAPTLMNAPTPN1
SCHEMBL5799598 0.95 PPARG (0.43) PPARGPPARAMAPTLMNAPTPN1
SCHEMBL5799336 0.93 PPARG (0.50) PPARGPPARAMAPTTP53SMN1; SMN2
SCHEMBL5799421 0.93 PPARG (0.50) PPARGPPARAMAPTTP53SMN1; SMN2
SCHEMBL5813107 0.88 PPARG (0.52) PPARGPPARA
SCHEMBL5813111 0.88 PPARG (0.52) PPARGPPARA
SCHEMBL5815019 0.87 HAVCR2 (0.40) PPARGPPARATP53HAVCR2POLB
SCHEMBL5801877 0.87 HAVCR2 (0.40) PPARGPPARATP53HAVCR2POLB
SCHEMBL5812488 0.84 PPARG (0.40) PPARGPPARAMAPTTP53SMN1; SMN2

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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