SCHEMBL4648742

SCHEMBL4648742

CC1=C(C(=O)O)C(c2cc(C)c(O)c(C)c2)NC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
GAA P10253 7/20 0.49
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2569532 0.82 USP2 (0.52) USP2GAAHTTHSD17B10KDM4E
SCHEMBL19732923 0.80 USP2 (0.79) USP2TSHRHSD17B10KDM4EALDH1A1
SCHEMBL13789190 0.80 USP2 (0.79) USP2TSHRHSD17B10KDM4EALDH1A1
SCHEMBL19732955 0.80 USP2 (0.79) USP2TSHRHSD17B10KDM4EALDH1A1
SCHEMBL10737695 0.79 GAA (0.48) USP2GAATSHRHTTL3MBTL1
SCHEMBL4650220 0.79 USP2 (0.47) USP2GAATSHRHTTHSD17B10
SCHEMBL13753875 0.79 GAA (0.64) GAATSHRHTTHSD17B10L3MBTL1
SCHEMBL19732920 0.78 USP2 (0.63) USP2GAATSHRHTTHSD17B10
SCHEMBL4648748 0.78 USP2 (0.43) USP2GAATSHRHTTHSD17B10
SCHEMBL6409001 0.77 ADORA2B (0.53) GAATSHRHTTHSD17B10L3MBTL1

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 6 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
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