SCHEMBL4688643

SCHEMBL4688643

CCOC(=O)CN1C(=O)NC(c2cc(C)c(O)c(OC)c2)C(C(=O)OCCC(C)(C)C)=C1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 7/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPC5 Q9UL62 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4743559 0.86 SMN1; SMN2 (0.56) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL6409604 0.85 ALDH1A1 (0.49) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL4648653 0.80 GAA (0.56) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL4650227 0.78 GAA (0.54) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL4686505 0.77 GAA (0.53) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL4648983 0.75 ALDH1A1 (0.53) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL6406891 0.75 ALDH1A1 (0.47) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL4649112 0.70 GAA (0.78) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL6403396 0.70 GAA (0.44) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL4646870 0.69 GAA (0.46) ALDH1A1GAALMNASMN1; SMN2TSHR

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