SCHEMBL8765689

SCHEMBL8765689

CN(C)COc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.59
ESR2 Q92731 6/20 0.59
LTA4H P09960 4/20 0.52
NR5A1 Q13285 1/20 0.48
LMNA P02545 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APP P05067 2/20 0.44
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL2477011 0.78 ESR1 (0.65) ESR1ESR2LTA4HLMNAHIF1A
SCHEMBL24628864 0.77 SLC6A2 (0.44) ESR1ESR2SLC6A2SLC6A3APP
SCHEMBL8765685 0.77 ESR1 (0.41) ESR1ESR2LTA4HKDM4EALDH1A1
SCHEMBL1477066 0.77 KDM4E (0.69) ESR1ESR2LTA4HNR5A1KDM4E
SCHEMBL12456886 0.76 LTA4H (0.53) ESR1ESR2LTA4HLMNASLC6A2
Hydrochloric Acid SCHEMBL10806159 0.75 KDM4E (0.67) ESR1ESR2LTA4HNR5A1KDM4E
SCHEMBL23475011 0.74 ESR1 (0.40) ESR1ESR2LTA4HHIF1AKDM4E
SCHEMBL24312923 0.74 KMT2A (0.45) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL8995206 0.74 ESR1 (0.40) ESR1ESR2LTA4HCYP1A2CYP2C19
1-Hydroxy-4-Ethoxybenzene SCHEMBL12476725 0.73 LTA4H (0.86) LTA4HNR5A1LMNAHIF1ACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed