SCHEMBL4427773

SCHEMBL4427773

CCOc1ccccc1OCCCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 11/20 0.60
MAPT P10636 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.49
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45

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
Ethylene SCHEMBL27857511 0.96 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL10459169 0.91 L3MBTL1 (0.63) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL6848695 0.89 KDM4E (0.54) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL4920959 0.86 L3MBTL1 (0.76) L3MBTL1MAPTNPSR1TDP1CYP1A2
1,2-Diethoxybenzene SCHEMBL578986 0.83 ALDH1A1 (0.68) L3MBTL1MAPTNPSR1TDP1CYP1A2
1,2-Diethoxybenzene SCHEMBL29428929 0.83 ALDH1A1 (0.68) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL4427769 0.83 L3MBTL1 (0.59) L3MBTL1MAPTTDP1ALDH1A1RAB9A
SCHEMBL30960112 0.83 L3MBTL1 (0.59) L3MBTL1MAPTTDP1ALDH1A1RAB9A
SCHEMBL1276613 0.82 L3MBTL1 (0.74) L3MBTL1MAPTNPSR1TDP1CYP1A2
1-Ethoxy-2-Propoxybenzene SCHEMBL2919156 0.82 L3MBTL1 (0.64) L3MBTL1MAPTNPSR1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009128088-A2 PREPARATION OF 2-(2-ALKOXY PHENOXY) ETHYLAMINE, AN INTERMEDIATE OF CARVEDILOL AND TAMSULOSIN SHODHANA LABORATORIES LIMITED (IN) 2009-10-22 WO claimed
CN-103664538-A Method for preparing 2-(2-ethoxyphenoxy) ethyl bromide CHINA MEDICINE RES & DEV CT CO LTD 2014-03-26 CN disclosed
WO-2009128088-A2 PREPARATION OF 2-(2-ALKOXY PHENOXY) ETHYLAMINE, AN INTERMEDIATE OF CARVEDILOL AND TAMSULOSIN SHODHANA LABORATORIES LIMITED (IN) 2009-10-22 WO disclosed
US-3993780-A Phenoxyethylamine derivatives having central nervous system depressant and anti-hypertensive activity SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 US disclosed