SCHEMBL5814610

SCHEMBL5814610

CCCO/N=C(\COc1cccc(CC(OCC)C(=O)O)c1)c1nnc(-c2ccc(F)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.46
▸ PPARA Q07869 15/20 0.46
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ADCY1 Q08828 1/20 0.38

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
SCHEMBL5814614 1.00 PPARG (0.46) PPARGPPARATSHRMAPK1KDM4E
SCHEMBL5813501 0.95 PPARG (0.44) PPARGPPARA
SCHEMBL5813503 0.95 PPARG (0.44) PPARGPPARA
SCHEMBL5812488 0.93 PPARG (0.40) PPARGPPARATSHRMAPK1KDM4E
SCHEMBL5814061 0.92 PPARG (0.46) PPARGPPARAKDM4E
SCHEMBL5814066 0.92 PPARG (0.46) PPARGPPARAKDM4E
SCHEMBL5798063 0.91 PPARA (0.51) PPARGPPARA
SCHEMBL5798061 0.91 PPARA (0.51) PPARGPPARA
SCHEMBL5809549 0.89 PPARG (0.38) PPARGPPARATSHRMAPK1KDM4E
SCHEMBL5809552 0.89 PPARG (0.38) PPARGPPARATSHRMAPK1KDM4E

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 2 patents. 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 claimed
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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