SCHEMBL5361849

SCHEMBL5361849

CCCON=C(COc1cccc(CC(=O)OC)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HAVCR2 Q8TDQ0 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PTPN1 P18031 1/20 0.35
▸ PLA2G4B P0C869 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL5313691 0.87 MAPT (0.45) MAPTSMN1; SMN2HAVCR2TP53MEN1
SCHEMBL5313697 0.87 MAPT (0.45) MAPTSMN1; SMN2HAVCR2TP53MEN1
SCHEMBL5311834 0.85 MAPT (0.47) MAPTSMN1; SMN2HAVCR2TP53MEN1
SCHEMBL5311831 0.85 MAPT (0.47) MAPTSMN1; SMN2HAVCR2TP53MEN1
SCHEMBL14530969 0.85 RAB9A (0.45) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL5313729 0.85 MAPT (0.39) MAPTSMN1; SMN2HAVCR2TP53MEN1
SCHEMBL5313731 0.85 MAPT (0.39) MAPTSMN1; SMN2HAVCR2TP53MEN1
SCHEMBL5799421 0.83 PPARG (0.50) MAPTSMN1; SMN2TP53PPARA
SCHEMBL5799336 0.83 PPARG (0.50) MAPTSMN1; SMN2TP53PPARA
SCHEMBL5316159 0.83 MAPT (0.41) MAPTSMN1; SMN2HAVCR2TP53MEN1

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-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 — — WO disclosed
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