SCHEMBL9478264

SCHEMBL9478264

CC(=O)/C(=C/c1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 3/20 0.47
GLO1 Q04760 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
P4HB P07237 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
MAOA P21397 1/20 0.44
RECQL P46063 1/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL9478271 1.00 THRB (0.47) THRBL3MBTL1MAOBGLO1LMNA
SCHEMBL10747237 1.00 THRB (0.47) THRBL3MBTL1MAOBGLO1LMNA
SCHEMBL11865025 0.92 GLO1 (0.53) THRBL3MBTL1MAOBGLO1LMNA
SCHEMBL5381429 0.91 MAOB (0.51) MAOBLMNAMAPTNFE2L2MEN1
SCHEMBL8042956 0.84 AKR1C3 (0.58) THRBL3MBTL1MAOBLMNAMAPT
SCHEMBL5004361 0.84 AKR1C3 (0.58) THRBL3MBTL1MAOBLMNAMAPT
SCHEMBL6959846 0.84 GAA (0.47) THRBL3MBTL1MAOBGLO1LMNA
SCHEMBL6959838 0.84 GAA (0.47) THRBL3MBTL1MAOBGLO1LMNA
SCHEMBL7273073 0.82 P4HB (0.43) THRBL3MBTL1MAOBLMNAMAPT
SCHEMBL15026404 0.81 GLO1 (0.61) GLO1LMNAMAPTHPGDNFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed