SCHEMBL8153296

SCHEMBL8153296

CCOOCc1cc2c([nH]1)CCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL13871992 0.78
SCHEMBL4753189 0.76 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8158152 0.72 PKN1 (0.33) ALDH1A1
SCHEMBL13318356 0.68 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13871989 0.66
SCHEMBL1004793 0.66 HRH4 (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL12844664 0.65
SCHEMBL22016185 0.64 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8159293 0.63
SCHEMBL1392811 0.62 HRH4 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 WO disclosed