SCHEMBL5790255

SCHEMBL5790255

Oc1ccc(Cc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.54
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
GSK3B P49841 1/20 0.47
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL2478090 0.88 PRKDC (0.58) PRKDCESR1ESR2PIK3CDPIK3CA
SCHEMBL5791945 0.83 LMNA (0.64) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6373750 0.82 VCP (0.56) PRKDCESR1ESR2PIK3CDPIK3CA
SCHEMBL4689823 0.81 ALDH1A1 (0.52) ESR2PIK3CAGSK3BALDH1A1KDM4E
SCHEMBL11504798 0.81 ALDH1A1 (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28121639 0.80 ALDH1A1 (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
Oxirane SCHEMBL4884714 0.80 ESR1 (0.74) ESR1ESR2GSK3BALDH1A1KDM4E
SCHEMBL1716021 0.79 CHKA (0.56) PIK3CAPIK3CGGSK3BALDH1A1KDM4E
SCHEMBL8977928 0.78 VCP (0.63) PRKDCALDH1A1KDM4EMAPTMEN1
SCHEMBL19831124 0.78 MAPT (0.56) PRKDCESR1ESR2PIK3CDPIK3CA

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-2006012683-A1 CHEMICAL PROCESSES AND COMPOUNDS DERIVED THEREFROM MONASH UNIVERSITY (AU) 2006-02-09 WO claimed