SCHEMBL10345804

SCHEMBL10345804

CC(C)C(N)C(O)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
MAOA P21397 1/20 0.51
PTGS1 P23219 1/20 0.51
CYP2D6 P10635 3/20 0.50
SCN4A P35499 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 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
SCHEMBL9452308 0.86 TDP1 (0.49) LMNAMAOAPTGS1ADRB2ADRB1
SCHEMBL835106 0.85 LMNA (0.66) LMNAMAOAPTGS1CYP2D6SCN4A
SCHEMBL851067 0.85 LMNA (0.66) LMNAMAOAPTGS1CYP2D6SCN4A
SCHEMBL851069 0.85 LMNA (0.66) LMNAMAOAPTGS1CYP2D6SCN4A
SCHEMBL12869056 0.85 LMNA (0.70) LMNAMAOAPTGS1CYP2D6SCN4A
SCHEMBL11096227 0.84 SLC6A2 (0.51) LMNAPTGS1CYP2D6ADRB2ADRB1
SCHEMBL8187180 0.81 LMNA (0.70) LMNAMAOAPTGS1CYP2D6SCN4A
SCHEMBL9564637 0.80 LMNA (0.68) LMNAMAOAPTGS1CYP2D6SCN4A
SCHEMBL7268804 0.79 LMNA (0.58) LMNAMAOAPTGS1CYP2D6SCN4A
Hydrochloric Acid SCHEMBL7428095 0.78 LMNA (0.56) LMNAMAOAPTGS1CYP2D6SCN4A

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
EP-0193227-B1 PROCESS FOR THE PREPARATION OF ARYLGLYCIDYL ETHERS AND 3-SUBSTITUTED 1-ALKYLAMINO-2-PROPANOLS GIST-BROCADES N.V. (NL) 1990-04-11 EP disclosed
EP-0193227-A1 Process for the preparation of arylglycidyl ethers and 3-substituted 1-alkylamino-2-propanols GIST-BROCADES N.V. (NL) 1986-09-03 EP disclosed