SCHEMBL21160054

SCHEMBL21160054

COCC(=O)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.67
PIK3CD O00329 2/20 0.57
PIK3CA P42336 2/20 0.57
PIK3CB P42338 2/20 0.57
PIK3CG P48736 2/20 0.57
GAA P10253 2/20 0.48
MAPT P10636 5/20 0.48
PKM P14618 1/20 0.48
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
GSK3B P49841 1/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.42
MAOB P27338 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 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
SCHEMBL21155632 0.86 PRKDC (0.62) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063514 0.85 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7090207 0.85 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063516 0.85 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3216387 0.82 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054826 0.82 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5065314 0.82 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058593 0.82 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058436 0.81 PRKDC (0.66) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054910 0.81 PRKDC (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136298-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES Cybrexa, Inc. (US) 2019-07-11 WO disclosed