SCHEMBL3393426

SCHEMBL3393426

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(O)c(O)c2)NC(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.66
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
PDE1C Q14123 2/20 0.59
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ADORA2B P29275 4/20 0.49
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL3396532 0.91 GAA (0.62) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL13426254 0.91 GAA (0.62) GAAKMT2AMEN1PDE1CKDM4E
SCHEMBL3394305 0.91 GAA (0.60) GAAKMT2AMEN1PDE1CKDM4E
SCHEMBL3395671 0.91 GAA (0.60) GAAKMT2AMEN1PDE1CKDM4E
SCHEMBL3397339 0.91 GAA (0.60) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL3394970 0.90 GAA (0.69) GAAKMT2AMEN1PDE1CALOX15
SCHEMBL13426289 0.90 GAA (0.81) GAAKMT2AMEN1PDE1CTSHR
SCHEMBL3395486 0.90 GAA (0.57) GAAKMT2AMEN1PDE1CKDM4E
SCHEMBL3398354 0.89 MEN1 (0.64) GAAKMT2AMEN1PDE1CALOX15
SCHEMBL3435256 0.88 GAA (0.56) GAAKMT2AMEN1PDE1CKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed