SCHEMBL9004133

SCHEMBL9004133

CC(/C=C/c1ccccc1)=N\OC[C@H](C)CN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
GLA P06280 1/20 0.37
BCHE P06276 5/20 0.37
ACHE P22303 5/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL9004119 0.85 MAOB (0.39) ALOX15GAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9004095 0.76 BCHE (0.53) ALOX15SMN1; SMN2ALDH1A1RAB9ABCHE
SCHEMBL9004068 0.73 MAPT (0.38) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL14667485 0.70 ALOX15 (0.63) ALOX15GAASMN1; SMN2MAPTALDH1A1
SCHEMBL8207242 0.70 ALOX15 (0.63) ALOX15GAASMN1; SMN2MAPTALDH1A1
SCHEMBL9004183 0.68 NFE2L2 (0.43) SMN1; SMN2MAPTALDH1A1NPSR1RAB9A
SCHEMBL24364714 0.67 NPC1 (0.49) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL28543907 0.66 ALOX15 (0.58) ALOX15GAASMN1; SMN2MAPTALDH1A1
SCHEMBL11636472 0.66 LMNA (0.48) GAASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL9004071 0.65 HTR2A (0.48) SMN1; SMN2ALDH1A1BCHEACHEMAPK1

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