SCHEMBL4504872

SCHEMBL4504872

Cc1ccccc1-c1[nH]c(C=O)c(C(=O)O)c1C(C)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.38
LDHB P07195 2/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MME P08473 1/20 0.34
ALOX5 P09917 2/20 0.34
FFAR1 O14842 1/20 0.33
BRS3 P32247 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGES O14684 1/20 0.32

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
SCHEMBL4494581 0.86 ESR1 (0.38) LDHALDHBALOX5KMT2AMEN1
SCHEMBL4482572 0.86 PPARG (0.41) PPARGPPARAL3MBTL1MMEALOX5
SCHEMBL4485206 0.81 ALDH1A1 (0.32) LDHALDHBL3MBTL1KMT2AMEN1
SCHEMBL4559834 0.81 PPARG (0.41) LDHALDHBPPARGPPARAL3MBTL1
SCHEMBL4485668 0.81 ALDH1A1 (0.39) FNTAFNTB
SCHEMBL4492334 0.80 TAAR1 (0.36) LDHALDHBALOX5KMT2AMEN1
SCHEMBL4481909 0.79 KDM4E (0.40) LDHALDHBL3MBTL1KMT2AMEN1
SCHEMBL4490045 0.79 PPARG (0.42) LDHAPPARGPPARABRS3KMT2A
SCHEMBL4504906 0.78 MEN1 (0.45) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL4477477 0.75 TDP1 (0.42) L3MBTL1MMEKMT2AMEN1

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
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed