SCHEMBL4743559

SCHEMBL4743559

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.45
GAA P10253 8/20 0.45
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TRPC5 Q9UL62 1/20 0.41

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
SCHEMBL4648983 0.88 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4688643 0.86 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL6409604 0.85 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4646870 0.81 GAA (0.46) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4648653 0.79 GAA (0.56) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4646413 0.77 GAA (0.52) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4686505 0.76 GAA (0.53) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL6406891 0.73 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4646408 0.72 GAA (0.50) SMN1; SMN2LMNAALDH1A1MAPTTDP1
SCHEMBL4647285 0.72 GAA (0.60) LMNAALDH1A1HTTGAATSHR

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