SCHEMBL7982845

SCHEMBL7982845

CC(C)(C)OC(=O)NCc1ccccc1C(=O)NCc1ccc(OCCCOc2ccc(CNC(=O)c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.52
PPARA Q07869 2/20 0.51
HDAC1 Q13547 2/20 0.49
NR1H4 Q96RI1 3/20 0.44
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NAMPT P43490 1/20 0.43
KCNA5 P22460 1/20 0.42
MAOA P21397 1/20 0.42
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL7983921 0.91 EPHX2 (0.62) EPHX2PPARAHDAC1NR1H4LMNA
SCHEMBL7982847 0.81 CTSS (0.57) EPHX2PPARAHDAC1NR1H4
SCHEMBL7984857 0.80 EPHX2 (0.65) EPHX2PPARAHDAC1NR1H4LMNA
SCHEMBL7982523 0.78 EPHX2 (0.65) EPHX2PPARAHDAC1NR1H4LMNA
SCHEMBL7983917 0.77 HDAC1 (0.45) EPHX2PPARAHDAC1NR1H4NAMPT
SCHEMBL7989749 0.77 EPHX2 (0.64) EPHX2PPARAHDAC1NR1H4LMNA
SCHEMBL7986129 0.77 EPHX2 (0.64) EPHX2PPARAHDAC1NR1H4LMNA
SCHEMBL7986757 0.77 EPHX2 (0.64) EPHX2PPARAHDAC1NR1H4LMNA
SCHEMBL7990811 0.77 EPHX2 (0.67) EPHX2PPARAHDAC1NR1H4LMNA
SCHEMBL3274015 0.77 EPHX2 (0.58) EPHX2PPARAHDAC1NAMPTL3MBTL1

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed