SCHEMBL13894950

SCHEMBL13894950

CN(CC(O)(C(F)(F)F)C(F)(F)F)C(=O)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.60
▸ MLYCD O95822 11/20 0.56
▸ MEN1 O00255 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX5 P09917 2/20 0.44
▸ KEAP1 Q14145 1/20 0.43

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
SCHEMBL8728564 0.79 KMT2A (0.60) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL647590 0.77 KMT2A (0.54) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL14219225 0.76 KMT2A (0.74) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL4064581 0.76 KMT2A (1.00) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL7374914 0.74 KMT2A (0.72) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL3366949 0.73 KMT2A (0.70) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL8188967 0.73 KMT2A (0.70) KMT2AMEN1HTTL3MBTL1NPC1
Water SCHEMBL3678915 0.72 KMT2A (0.68) KMT2AMLYCDMEN1HTTL3MBTL1
Hydrochloric Acid SCHEMBL3136984 0.72 KMT2A (0.68) KMT2AMLYCDMEN1HTTL3MBTL1
SCHEMBL448875 0.72 ALOX5 (0.77) KMT2AMEN1HTTL3MBTL1NPC1

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-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 — — US disclosed
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