SCHEMBL4646772

SCHEMBL4646772

COc1cc(C2NC(=O)NC(C)=C2C(=O)OCCC(C)(C)C)cc(C)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
GAA P10253 3/20 0.59
BLM P54132 1/20 0.59
HTT P42858 2/20 0.54
MAPK10 P53779 2/20 0.53
RORC P51449 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
ADORA2B P29275 1/20 0.49

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
SCHEMBL6405653 0.85 TSHR (0.55) TSHRGAABLMHTTMAPK10
SCHEMBL4649112 0.77 GAA (0.78) TSHRGAABLMHTTMAPK10
SCHEMBL4648514 0.75 GAA (0.58) TSHRGAABLMHTTMAPK10
SCHEMBL4646681 0.73 GAA (0.51) GAAADORA2B
SCHEMBL4646692 0.73 GAA (0.50) TSHRGAARAB9AADORA2B
SCHEMBL16323913 0.72 ALDH1A1 (0.81) TSHRGAAHTTPKMADORA2B
SCHEMBL10113087 0.71 POLB (0.70) TSHRHTTPKMADORA2B
SCHEMBL3397866 0.69 PKM (0.80) TSHRGAABLMHTTMAPK10
SCHEMBL16366979 0.69 RXFP1 (0.80)
SCHEMBL16458086 0.69 PKM (0.70) TSHRGAABLMHTTPKM

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