SCHEMBL6663577

SCHEMBL6663577

CCOc1ccccc1OCC(OC)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 7/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GLA P06280 1/20 0.47
CYP1A2 P05177 3/20 0.44
LMNA P02545 2/20 0.44
AGTR1 P30556 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PTPRC P08575 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL13992291 0.91 ALOX15 (0.49) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL13984211 0.84 ALOX15 (0.53) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
1,2-Diethoxybenzene SCHEMBL29428929 0.80 ALDH1A1 (0.68) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
1,2-Diethoxybenzene SCHEMBL578986 0.80 ALDH1A1 (0.68) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL5080663 0.79 ALOX15 (0.56) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL31345547 0.78 CYP1A2 (0.40) ALOX15CYP1A2LMNAAGTR1KDM4E
SCHEMBL7694021 0.78 KMT2A (0.49) ALDH1A1L3MBTL1MAPTCYP1A2LMNA
SCHEMBL31474676 0.78 ALOX15 (0.74) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL6298086 0.78 NR2E1 (0.46) ALDH1A1L3MBTL1CYP1A2LMNAAGTR1
SCHEMBL1919969 0.77 LMNA (0.54) ALOX15ALDH1A1L3MBTL1MAPTCYP1A2

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-2004016582-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF TAMSULOSIN HYDROCHLORIDE NATCO PHARMA LIMITED (IN) 2004-02-26 WO disclosed