SCHEMBL5801877

SCHEMBL5801877

CCCON=C(COc1cccc(CC(OCC)C(=O)OCC)c1)c1nc(-c2ccc(F)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 5/20 0.40
▸ PPARG P37231 7/20 0.39
▸ PPARA Q07869 7/20 0.39
▸ GSTP1 P09211 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL5815019 1.00 HAVCR2 (0.40) HAVCR2PPARGPPARAGSTP1NPSR1
SCHEMBL5815283 0.97 PPARG (0.41) HAVCR2PPARGPPARA
SCHEMBL5815282 0.97 PPARG (0.41) HAVCR2PPARGPPARA
SCHEMBL5809974 0.93 NPSR1 (0.43) HAVCR2PPARGPPARANPSR1SMPD1
SCHEMBL5809977 0.93 NPSR1 (0.43) HAVCR2PPARGPPARANPSR1SMPD1
SCHEMBL5812967 0.91 PPARG (0.45) PPARGPPARAHTT
SCHEMBL5813984 0.91 PPARG (0.45) PPARGPPARAHTT
SCHEMBL5812488 0.87 PPARG (0.40) PPARGPPARATP53HTT
SCHEMBL5799155 0.87 PPARG (0.41) PPARGPPARAHTTPOLBKMT2A
SCHEMBL5802170 0.87 PPARG (0.42) HAVCR2PPARGPPARATP53POLB

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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