SCHEMBL7091571

SCHEMBL7091571

NN=Cc1ccc(N2CCOCC2)cc1O.O=C(O)c1ccc(NC(=O)N2CCOCC2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 4/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
FLT3 P36888 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
ESR2 Q92731 1/20 0.42
SLC16A3 O15427 1/20 0.41

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
SCHEMBL7091568 1.00 PRKDC (0.47) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7091569 0.85 SMN1; SMN2 (0.43) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054702 0.82 GAA (0.62) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL11921363 0.78 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058425 0.78 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058428 0.78 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058525 0.76 PRKDC (0.75) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17385601 0.70 GAA (0.69) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL5059589 0.69 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5059642 0.69 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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