SCHEMBL9004070

SCHEMBL9004070

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.39
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
TRPA1 O75762 1/20 0.33
ABCB1 P08183 6/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.31

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) NOS3NOS1NOS2LMNAMAPT
SCHEMBL9004128 0.85 KCNH2 (0.37) NOS3NOS1NOS2LMNAMAPT
SCHEMBL9412212 0.85 NOS3 (0.37) NOS3NOS1NOS2LMNAMAPT
SCHEMBL9004137 0.81 POLB (0.44) HSF1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL9004091 0.80 LMNA (0.45) NOS3NOS1NOS2LMNAMAPT
SCHEMBL9412273 0.79 HTR2A (0.43) NOS3NOS1NOS2LMNAMAPT
SCHEMBL9004191 0.78 KMT2A (0.37) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL9004146 0.77 TRPA1 (0.50) NOS3NOS1NOS2LMNAMAPT
SCHEMBL9004096 0.77 ACHE (0.38) NOS3NOS1NOS2LMNAMAPT
SCHEMBL9004144 0.77 UTS2R (0.39) NOS3NOS1NOS2LMNAMAPT

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