SCHEMBL9004191

SCHEMBL9004191

CC(C)CCC(/C=C/c1ccc(Cl)cc1)=N\OC[C@H](O)CNC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPY1R P25929 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9004141 0.85 NOS3 (0.37) KMT2AMEN1ADRB2
SCHEMBL9412212 0.84 NOS3 (0.37) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL9004137 0.80 POLB (0.44) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL9004140 0.79 LMNA (0.44) LMNAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL9004070 0.78 HSF1 (0.39) LMNAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL9004128 0.77 KCNH2 (0.37) KMT2AMEN1LMNAHTTMAPT
SCHEMBL9004176 0.73 CHRM1 (0.39) HTT
SCHEMBL9004145 0.72 CYP3A4 (0.42) KMT2AMEN1LMNAHTTADRB2
SCHEMBL9412241 0.71 HRH3 (0.43) KMT2AMEN1
SCHEMBL9004099 0.71 HRH3 (0.43) KMT2AMEN1

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