SCHEMBL6994793

SCHEMBL6994793

CC(=O)CCCc1ccc(N2CCOCC2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.59
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
MAPT P10636 7/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
KMO O15229 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL7138533 0.85 PRKDC (0.63) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1599425 0.82 PRKDC (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1600364 0.80 PRKDC (0.54) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11061693 0.79 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063509 0.78 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2475418 0.78 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6996807 0.78 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1914049 0.77 PRKDC (0.47) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2330058 0.76 MAPT (0.57) PRKDCMAPTL3MBTL1GSK3BGAA
SCHEMBL2174830 0.75 PRKDC (0.62) 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