SCHEMBL9004091

SCHEMBL9004091

CC(C)CC(/C=C/c1ccc(Cl)cc1)=N\OC[C@H](O)CN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CDK4 P11802 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CDK2 P24941 3/20 0.36
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9004140 0.90 LMNA (0.44) LMNASMN1; SMN2CDK4MAPTALDH1A1
SCHEMBL9004070 0.80 HSF1 (0.39) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9004068 0.79 MAPT (0.38) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9004128 0.76 KCNH2 (0.37) LMNAMAPTHTTNOS3NOS1
SCHEMBL9412212 0.76 NOS3 (0.37) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9412273 0.74 HTR2A (0.43) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9004043 0.73 TDP1 (0.43) LMNASMN1; SMN2CDK4NPC1RAB9A
SCHEMBL9004042 0.73 TRPA1 (0.47) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9004144 0.72 UTS2R (0.39) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9004137 0.72 POLB (0.44) SMN1; SMN2NPC1HTTRAB9AKDM4E

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