SCHEMBL4648983

SCHEMBL4648983

CCN1C(=O)NC(c2cc(C)c(O)c(OC)c2)C(C(=O)O)=C1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 2/20 0.48
GAA P10253 7/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 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
SCHEMBL4743559 0.88 SMN1; SMN2 (0.56) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4646870 0.86 GAA (0.46) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL6406891 0.84 ALDH1A1 (0.47) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4649550 0.81 ALDH1A1 (0.41) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4647285 0.76 GAA (0.60) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4646413 0.75 GAA (0.52) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4688643 0.75 ALDH1A1 (0.49) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL6409604 0.74 ALDH1A1 (0.49) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL6404449 0.74 GAA (0.54) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4649545 0.73 GAA (0.38) ALDH1A1TSHRGAALMNAMEN1

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