SCHEMBL5313729

SCHEMBL5313729

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HAVCR2 Q8TDQ0 2/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ROCK1 Q13464 3/20 0.36
▸ PRKACA P17612 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ PRKX P51817 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36

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
SCHEMBL5313731 1.00 MAPT (0.39) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL5314082 0.92 MAPT (0.40) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL5314079 0.92 MAPT (0.40) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL5313697 0.85 MAPT (0.45) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL5313691 0.85 MAPT (0.45) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL5361849 0.85 MAPT (0.39) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL5311831 0.83 MAPT (0.47) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL5311834 0.83 MAPT (0.47) MAPTSMN1; SMN2TP53HAVCR2PTPN1
SCHEMBL14530969 0.83 RAB9A (0.45) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL5316156 0.81 MAPT (0.41) MAPTSMN1; SMN2TP53HAVCR2PTPN1

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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