SCHEMBL1820464

SCHEMBL1820464

COc1cc(OC)cc(OC(C)(C(=O)NCl)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.40
KIF11 P52732 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KCNN4 O15554 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL1823516 0.86 PPARA (0.45) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL1824799 0.79 MCL1 (0.45) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL1819391 0.78 NPC1 (0.43) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL1822481 0.78 BCHE (0.48) RAB9ASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL1821326 0.78 PPARG (0.45) SMN1; SMN2KIF11L3MBTL1MEN1KMT2A
SCHEMBL1820649 0.76 KIF11 (0.45) SMN1; SMN2KIF11PPARGPPARAALDH1A1
SCHEMBL1820277 0.75 PPARG (0.47) NPC1RAB9AHTTSMN1; SMN2RECQL
SCHEMBL1818707 0.73 PPARA (0.47) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL1818640 0.72 HDAC3 (0.58) NPC1RAB9AKCNN4CASP3SENP7
SCHEMBL1819039 0.72 PPARA (0.46) NPC1RAB9AHTTSMN1; SMN2MEN1

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed