SCHEMBL9054167

SCHEMBL9054167

NC(Cc1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.65
MAOB P27338 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LAP3 P28838 1/20 0.56
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BCHE P06276 1/20 0.53

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
Hydrochloric Acid SCHEMBL9054687 0.98 LTA4H (0.63) LTA4HMAOBCYP1A2CYP2C19CYP2D6
SCHEMBL8866173 0.98 LTA4H (0.62) LTA4HMAOBCYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL8865569 0.97 LTA4H (0.60) LTA4HMAOBCYP1A2CYP2C19CYP2D6
SCHEMBL8866250 0.97 LTA4H (0.65) LTA4HMAOBCYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL8866048 0.95 LTA4H (0.63) LTA4HMAOBCYP1A2CYP2C19CYP2D6
SCHEMBL7036801 0.93 LTA4H (0.57) LTA4HMAOBCYP1A2CYP2C19CYP2D6
SCHEMBL6568552 0.83 LMNA (0.58) LTA4HMAOBCYP1A2CYP2C19GAA
SCHEMBL7766511 0.83 MAOB (0.56) LTA4HMAOBCYP1A2CYP2C19GAA
SCHEMBL322827 0.83 LMNA (0.58) LTA4HMAOBCYP1A2CYP2C19GAA
SCHEMBL8862833 0.82 GRIN2D (0.68) LTA4HMAOBCYP1A2CYP2C19GAA

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-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP disclosed