SCHEMBL4649545

SCHEMBL4649545

CCN1C(=O)NC(c2cc(C)c(OC(=O)C3=C(C)N(CCN(C)C)C(=O)NC3c3cc(C)c(O)c(OC)c3)c(OC)c2)C(C(=O)OC(C)C(C)(C)C)=C1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.38
LMNA P02545 5/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4649550 0.93 ALDH1A1 (0.41) GAALMNAMAPTALDH1A1TSHR
SCHEMBL6403396 0.92 GAA (0.44) GAALMNAMAPTALDH1A1TSHR
SCHEMBL6406891 0.88 ALDH1A1 (0.47) GAALMNAMAPTALDH1A1TSHR
SCHEMBL6404449 0.80 GAA (0.54) GAALMNAMAPTALDH1A1TSHR
SCHEMBL6409604 0.79 ALDH1A1 (0.49) GAALMNAMAPTALDH1A1TSHR
SCHEMBL4646870 0.78 GAA (0.46) GAALMNAMAPTALDH1A1TSHR
SCHEMBL4648983 0.73 ALDH1A1 (0.53) GAALMNAMAPTALDH1A1TSHR
SCHEMBL6404869 0.72 GAA (0.56) GAALMNAALDH1A1TSHRHTT
SCHEMBL6409849 0.72 GAA (0.52) GAALMNAMAPTALDH1A1TSHR
SCHEMBL4686505 0.71 GAA (0.53) GAALMNAMAPTALDH1A1TSHR

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