SCHEMBL3205979

SCHEMBL3205979

COc1ccc(C=O)cc1N(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.65
ALDH1A1 P00352 8/20 0.63
TSHR P16473 1/20 0.63
AOX1 Q06278 1/20 0.58
FDPS P14324 1/20 0.54
TRIM24 O15164 1/20 0.53
HPGD P15428 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
TTR P02766 1/20 0.50
ALDH1A3 P47895 1/20 0.45
NQO2 P16083 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2A6 P11509 2/20 0.44

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
SCHEMBL31299758 0.85 APP (0.65) APPALDH1A1TSHRAOX1FDPS
SCHEMBL1049237 0.85 APP (0.65) APPALDH1A1TSHRAOX1FDPS
SCHEMBL3394593 0.82 FDPS (0.47) APPALDH1A1TSHRAOX1FDPS
SCHEMBL6262371 0.78 FDPS (0.51) APPALDH1A1TSHRAOX1FDPS
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSTRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL27694001 0.78 CYP2A6 (0.52) APPALDH1A1TSHRAOX1TRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSTRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL29364994 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL19878321 0.77 ALDH1A1 (0.53) ALDH1A1TSHRAOX1FDPSTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946129-B2 Mass labels ELECTROPHORETICS LIMITED (GB) 2015-02-03 US disclosed
US-20100029495-A1 Mass labels ELECTROPHORETICS LIMITED (GB) 2010-02-04 US disclosed
EP-1926997-A1 MASS LABELS Electrophoretics Limited (GB) 2008-06-04 EP disclosed
WO-2007031717-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2007-03-22 WO disclosed