SCHEMBL4647285

SCHEMBL4647285

COc1cc(C2NC(=O)NC(C)=C2C(=O)O)cc(C)c1O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.60
TSHR P16473 3/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.56
THRB P10828 1/20 0.52
BLM P54132 1/20 0.51
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL13753875 0.90 GAA (0.64) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4648742 0.89 USP2 (0.52) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4648732 0.88 GAA (0.78) GAATSHRHTTL3MBTL1NPC1
SCHEMBL6408458 0.86 CREBBP (0.62) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4646686 0.84 GAA (0.55) GAATSHRHTTL3MBTL1NPC1
SCHEMBL6404869 0.82 GAA (0.56) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4648763 0.80 GAA (0.53) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4646857 0.79 CREBBP (0.65) GAATSHRHTTL3MBTL1NPC1
SCHEMBL13745523 0.78 GAA (0.76) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4252050 0.77 ALDH1A1 (0.68) GAATSHRHTTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP claimed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP claimed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO claimed