SCHEMBL7089916

SCHEMBL7089916

COC(=O)c1ccc(N)cc1O.COC(=O)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
PRKDC P78527 4/20 0.62
PIK3CD O00329 2/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
MYC P01106 1/20 0.50
MAPT P10636 6/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL5054826 0.92 PRKDC (0.72) GAAPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL5054798 0.83 PRKDC (0.55) GAAPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL5058325 0.82 PRKDC (0.59) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26604551 0.82 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058586 0.81 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9344830 0.81 LGMN (0.54) GAAPRKDCMAPTNPC1RAB9A
SCHEMBL17113124 0.81 GAA (0.51) GAAPRKDCMAPTNPC1RAB9A
SCHEMBL24849660 0.81 PRKDC (0.55) GAAPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL18499422 0.80 MYC (0.61) GAAPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL616715 0.80 GAA (1.00) GAAMYCMAPTSMN1; SMN2KMT2A

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
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed