SCHEMBL7143708

SCHEMBL7143708

O=CCc1ccc(N2CCOCC2)c(Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERN1 O75460 1/20 0.39
ACP1 P24666 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2174830 0.71 PRKDC (0.62) ALOX15HSD17B10PIK3CDPIK3CAPIK3CB
SCHEMBL5054794 0.71 PRKDC (0.54) ALOX15ERN1PRKDCALDH1A1MAPT
SCHEMBL6997120 0.70 ALDH1A1 (0.48) ALDH3A1ALDH1A3CYP2C9ALOX15HSD17B10
SCHEMBL1829471 0.70 ERN1 (0.34) HSD17B10ERN1MAPTKMT2AMEN1
SCHEMBL25370544 0.67 LGMN (0.54) ALOX15PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6997718 0.67 GPR55 (0.49) ALDH3A1ALDH1A3CYP2C9ALOX15HSD17B10
SCHEMBL1701348 0.67 PIK3CD (0.51) ALOX15HSD17B10PIK3CDPIK3CAPIK3CB
SCHEMBL25371978 0.65 SMPD3 (0.41) CYP2C9HSD17B10PIK3CAALDH1A1MAPT
SCHEMBL1832013 0.64 ERN1 (0.46) HSD17B10ERN1ALDH1A1MAPTKMT2A
SCHEMBL250808 0.64 NOTUM (0.49) ALDH3A1ALDH1A3CYP2C9PIK3CDPIK3CA

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