SCHEMBL5799644

SCHEMBL5799644

CCON=C(COc1cccc(CC(OCC)C(=O)OCC)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.43
▸ PPARA Q07869 7/20 0.43
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PTPN1 P18031 3/20 0.36
▸ HAVCR2 Q8TDQ0 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CSGALNACT1 Q8TDX6 1/20 0.34

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
SCHEMBL5799598 1.00 PPARG (0.43) PPARGPPARAMAPTLMNATHRB
SCHEMBL5802170 0.95 PPARG (0.42) PPARGPPARAMAPTLMNAPTPN1
SCHEMBL5802172 0.95 PPARG (0.42) PPARGPPARAMAPTLMNAPTPN1
SCHEMBL5813111 0.93 PPARG (0.52) PPARGPPARA
SCHEMBL5813107 0.93 PPARG (0.52) PPARGPPARA
SCHEMBL5799336 0.88 PPARG (0.50) PPARGPPARAMAPT
SCHEMBL5799421 0.88 PPARG (0.50) PPARGPPARAMAPT
SCHEMBL5822695 0.84 PPARA (0.47) PPARGPPARAPTPN1
SCHEMBL5822692 0.84 PPARA (0.47) PPARGPPARAPTPN1
SCHEMBL5815019 0.81 HAVCR2 (0.40) PPARGPPARAHAVCR2

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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