SCHEMBL4649550

SCHEMBL4649550

CCN1C(=O)NC(c2cc(C)c(O)c(OC)c2)C(C(=O)OC(C)C(C)(C)C)=C1C.COc1cc(C2NC(=O)N(CCN(C)C)C(C)=C2C(=O)O)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 8/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 4/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL6403396 0.94 GAA (0.44) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL4649545 0.93 GAA (0.38) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL6406891 0.90 ALDH1A1 (0.47) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL4646870 0.86 GAA (0.46) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL6404449 0.82 GAA (0.54) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL6409604 0.81 ALDH1A1 (0.49) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL4648983 0.81 ALDH1A1 (0.53) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL6409849 0.76 GAA (0.52) ALDH1A1GAATSHRLMNAUSP2
SCHEMBL6404869 0.74 GAA (0.56) ALDH1A1GAATSHRLMNAHTT
SCHEMBL4686505 0.74 GAA (0.53) ALDH1A1GAATSHRLMNAUSP2

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 disclosed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP disclosed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO disclosed