SCHEMBL3399862

SCHEMBL3399862

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(O)cc2Cl)NC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
TP53 P04637 4/20 0.52
GAA P10253 3/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PDE1C Q14123 2/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.44
KIF11 P52732 1/20 0.43
ADORA2B P29275 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3398333 0.89 MEN1 (0.52) TP53GAAMEN1KMT2APDE1C
SCHEMBL3396507 0.87 POLB (0.62) MAPK1TP53GAAMEN1KMT2A
SCHEMBL13425613 0.86 MEN1 (0.52) TP53GAAMEN1KMT2APDE1C
SCHEMBL13426215 0.84 KIF11 (0.62) MAPK1GAAMEN1KMT2APDE1C
SCHEMBL13425966 0.84 KIF11 (0.62) MAPK1GAAMEN1KMT2APDE1C
SCHEMBL3398042 0.84 KIF11 (0.62) MAPK1GAAMEN1KMT2APDE1C
SCHEMBL3398354 0.84 MEN1 (0.64) MAPK1TP53GAAMEN1KMT2A
SCHEMBL13425652 0.84 GAA (0.50) MAPK1TP53GAAMEN1KMT2A
SCHEMBL3395154 0.83 GAA (0.68) TP53GAAMEN1KMT2APDE1C
SCHEMBL3394451 0.83 KIF11 (0.64) MAPK1GAAMEN1KMT2APDE1C

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