SCHEMBL3395671

SCHEMBL3395671

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PDE1C Q14123 2/20 0.56
ADORA2B P29275 4/20 0.47
ALDH1A1 P00352 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KIF11 P52732 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
SCHEMBL13425728 0.92 MEN1 (0.58) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3393426 0.91 GAA (0.66) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL13425549 0.90 MEN1 (0.59) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3394409 0.90 MEN1 (0.55) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3397339 0.89 GAA (0.60) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3394305 0.89 GAA (0.60) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3398250 0.88 MEN1 (0.55) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3394970 0.88 GAA (0.69) GAAMEN1KMT2APDE1CMAPK1
SCHEMBL13426150 0.88 MEN1 (0.59) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3395486 0.87 GAA (0.57) 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