SCHEMBL5359559

SCHEMBL5359559

CC(C)(Oc1ccc(C#Cc2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
BAZ1A Q9NRL2 1/20 0.50
MTOR P42345 1/20 0.50
PPARA Q07869 3/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
BRAF P15056 1/20 0.48
KDR P35968 1/20 0.48
MAPK14 Q16539 1/20 0.48
TNNI3K Q59H18 1/20 0.48
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.47
EPHX2 P34913 2/20 0.47
IDH1 O75874 3/20 0.46

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
SCHEMBL5436500 0.78 PPARA (0.60) PPARAPPARGPPARDEPHX2
SCHEMBL1304683 0.77 PPARA (0.61) PPARAPPARGPPARDMAPTMEN1
SCHEMBL2123318 0.76 BAZ1A (0.66) BAZ1AMTORBRAFKDRMAPK14
SCHEMBL805971 0.76 PPARA (0.61) PPARAPPARGMAPTMEN1KMT2A
SCHEMBL16303954 0.76 PPARA (0.61) PPARAPPARGMAPTMEN1KMT2A
SCHEMBL1304908 0.76 MEN1 (0.62) PPARAPPARGMAPTHTTMEN1
SCHEMBL3371243 0.74 PPARA (0.64) PPARAPPARGPPARDMAPTMEN1
SCHEMBL5444452 0.74 BAZ1A (0.66) BAZ1AMTORBRAFKDRMAPK14
SCHEMBL11193042 0.74 MEN1 (0.74) BAZ1AMTORBRAFKDRMAPK14
SCHEMBL4715363 0.73 LCK (0.67) BAZ1AMTORBRAFKDRMAPK14

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-2007141423-A1 PPAR ENHANCING DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF NEGMA-LERADS (FR) 2007-12-13 WO disclosed