SCHEMBL3395486

SCHEMBL3395486

CCC1=C(C(=O)OCC2CCCCC2)C(c2cc(O)c(O)c(O)c2)NC(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PDE1C Q14123 2/20 0.53
ADORA2B P29275 7/20 0.51
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL13425562 0.94 MEN1 (0.56) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL13425661 0.93 GAA (0.65) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL13425688 0.93 GAA (0.53) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3393426 0.90 GAA (0.66) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3395154 0.90 GAA (0.68) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3394305 0.89 GAA (0.60) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3394377 0.87 MEN1 (0.62) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3395082 0.87 MEN1 (0.54) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL13426254 0.87 GAA (0.62) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3395671 0.87 GAA (0.60) GAAMEN1KMT2APDE1CADORA2B

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