SCHEMBL7416946

SCHEMBL7416946

O=[C]COc1cccc(CN2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.63
HTT P42858 1/20 0.63
NCF1 P14598 1/20 0.54
HRH3 Q9Y5N1 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.47
NOS1 P29475 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PSMB8 P28062 1/20 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
SCHEMBL7425219 0.84 SIGMAR1 (0.52) KDM4EALDH1A1HRH3GAAACHE
SCHEMBL12124941 0.82 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL7416950 0.81 KDM4E (0.63) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL7422613 0.80 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL14432882 0.79 KDM4E (0.71) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL13791587 0.79 SIGMAR1 (0.72) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL11040258 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL9638384 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL17099378 0.77 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHTTNCF1
SCHEMBL11196105 0.77 NCF1 (0.83) KDM4EALDH1A1HPGDHTTNCF1

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-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed