SCHEMBL6250313

SCHEMBL6250313

CCOc1ccccc1OOC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HCRTR1 O43613 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 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
1,2-Diethoxybenzene SCHEMBL28398613 0.82 L3MBTL1 (0.74) L3MBTL1GLAMAPTNPSR1HCRTR1
SCHEMBL4923575 0.81 L3MBTL1 (0.61) L3MBTL1GLAMAPTNPSR1HCRTR1
1,2-Diethoxybenzene SCHEMBL28400278 0.80 L3MBTL1 (0.66) L3MBTL1GLAMAPTNPSR1HCRTR1
SCHEMBL27204538 0.80 L3MBTL1 (0.51) L3MBTL1GLAMAPTNPSR1HCRTR1
SCHEMBL8619436 0.79 L3MBTL1 (0.46) L3MBTL1GLAMAPTNPSR1ALDH1A1
SCHEMBL22833915 0.79 CA1 (0.54) L3MBTL1ALDH1A1LMNAKDM4EKMT2A
1,2-Diethoxybenzene SCHEMBL578986 0.77 ALDH1A1 (0.68) L3MBTL1GLAMAPTNPSR1HCRTR1
1,2-Diethoxybenzene SCHEMBL29428929 0.77 ALDH1A1 (0.68) L3MBTL1GLAMAPTNPSR1HCRTR1
1,2-Diethoxybenzene SCHEMBL28074335 0.76 L3MBTL1 (0.66) L3MBTL1GLAMAPTNPSR1HCRTR1
SCHEMBL6116127 0.76 TSHR (0.62) L3MBTL1MAPTALDH1A1CYP2C19LMNA

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
WO-2005051897-A1 PROCESS FOR THE PREPARATION OF TAMSULOSIN TORCAN CHEMICAL LTD. (CA) 2005-06-09 WO disclosed