SCHEMBL9004183

SCHEMBL9004183

CCC(/C=C/c1ccccc1OC)=N\OCC(C)CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX12 P18054 2/20 0.42
TFEB P19484 1/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 6/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
BCHE P06276 1/20 0.39
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9004068 0.76 MAPT (0.38) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9004163 0.74 NFE2L2 (0.58) NFE2L2ALDH1A1HPGDLMNAMEN1
SCHEMBL9004112 0.73 KDM4E (0.51) NFE2L2ALDH1A1HPGDLMNATFEB
SCHEMBL10681345 0.68 EGFR (0.39) NFE2L2ALDH1A1HPGDLMNAMEN1
SCHEMBL9004133 0.68 ALOX15 (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9004075 0.67 NFE2L2 (0.55) NFE2L2ALDH1A1HPGDLMNAMEN1
SCHEMBL2623834 0.65 NFE2L2 (0.81) NFE2L2ALDH1A1HPGDLMNAMEN1
SCHEMBL20475031 0.63 NFE2L2 (0.61) NFE2L2ALDH1A1HPGDLMNAMEN1
Propionic Acid SCHEMBL28155113 0.63 NFE2L2 (0.57) NFE2L2ALDH1A1HPGDLMNAMEN1
SCHEMBL11765805 0.63 NFE2L2 (0.70) NFE2L2ALDH1A1HPGDLMNAMEN1

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
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed