SCHEMBL9004128

SCHEMBL9004128

CCCCCCC[C@@H](O)CO/N=C(/C=C/c1ccc(Cl)cc1)CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
MAOB P27338 3/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
MAPT P10636 2/20 0.32
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAOA P21397 1/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 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 0.86 LMNA (0.44) KCNH2NOS3NOS1NOS2MAPT
SCHEMBL9004070 0.85 HSF1 (0.39) NOS3NOS1NOS2MAPTTRPA1
SCHEMBL9412212 0.83 NOS3 (0.37) NOS3NOS1NOS2MAPTMEN1
SCHEMBL9004137 0.79 POLB (0.44) MEN1KMT2AGAAHTTCYP1A2
SCHEMBL9004091 0.76 LMNA (0.45) KCNH2NOS3NOS1NOS2MAPT
SCHEMBL9004144 0.75 UTS2R (0.39) NOS3NOS1NOS2MAPTLMNA
SCHEMBL9004096 0.75 ACHE (0.38) KCNH2MAOBNOS3NOS1NOS2
SCHEMBL9412273 0.75 HTR2A (0.43) MAOBNOS3NOS1NOS2MAPT
SCHEMBL9004074 0.72 HRH3 (0.41) KCNH2MAOBMEN1KMT2A
SCHEMBL9004099 0.71 HRH3 (0.43) KCNH2MAOBMEN1KMT2A

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