SCHEMBL3398808

SCHEMBL3398808

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(=O)C(C)(C)C)cc2)NC(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
PDE1C Q14123 2/20 0.51
GAA P10253 4/20 0.50
ADORA2B P29275 4/20 0.46
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK10 P53779 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3398812 1.00 KMT2A (0.56) KMT2AMEN1PDE1CGAAADORA2B
SCHEMBL3395367 0.89 KMT2A (0.59) KMT2AMEN1PDE1CGAAADORA2B
SCHEMBL3395365 0.89 KMT2A (0.59) KMT2AMEN1PDE1CGAAADORA2B
SCHEMBL13425513 0.89 PDE1C (0.61) KMT2AMEN1PDE1CGAAADORA2B
SCHEMBL13425364 0.89 KMT2A (0.55) KMT2AMEN1PDE1CGAAADORA2B
SCHEMBL3398354 0.87 MEN1 (0.64) KMT2AMEN1PDE1CGAAADORA2B
SCHEMBL13425702 0.87 KMT2A (0.56) KMT2AMEN1PDE1CGAAADORA2B
Hydrochloric Acid SCHEMBL3398338 0.86 KMT2A (0.56) KMT2AMEN1PDE1CGAAADORA2B
Hydrochloric Acid SCHEMBL3398330 0.86 KMT2A (0.56) KMT2AMEN1PDE1CGAAADORA2B
Hydrochloric Acid SCHEMBL3398326 0.86 KMT2A (0.56) KMT2AMEN1PDE1CGAAADORA2B

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 1 patent. 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