SCHEMBL7083540

SCHEMBL7083540

C=CCc1cccc2c1O[C@@H](CO)CO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALOX5 P09917 1/20 0.37
CA2 P00918 1/20 0.36
ADRA1A P35348 5/20 0.34
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
DRD3 P35462 1/20 0.34
GAA P10253 1/20 0.33
AKR1B1 P15121 1/20 0.33
ADRA1D P25100 4/20 0.33
ADRA1B P35368 4/20 0.33

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
SCHEMBL7083543 1.00 GABRA1 (0.37) GABRA1GABRB2ALOX5CA2ADRA1A
SCHEMBL5957049 0.78 HTR1A (0.34) CA2HTR1A
SCHEMBL6977479 0.77 CA2 (0.42) ALOX5CA2ADRA1AHTTHTR1A
SCHEMBL6977481 0.77 CA2 (0.42) ALOX5CA2ADRA1AHTTHTR1A
SCHEMBL6985813 0.76 ADRA1A (0.49) CA2ADRA1AHTTHTR1AADRA2A
SCHEMBL6981984 0.76 CA2 (0.41) CA2ADRA1AHTTHTR1AADRA2A
SCHEMBL6985807 0.76 ADRA1A (0.49) CA2ADRA1AHTTHTR1AADRA2A
SCHEMBL1021052 0.76 ADRA1A (0.47) CA2ADRA1AHTTHTR1AADRA2A
SCHEMBL6981978 0.76 CA2 (0.41) CA2ADRA1AHTTHTR1AADRA2A
SCHEMBL6974656 0.76 ADRA1A (0.47) CA2ADRA1AHTTHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928791-B1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO LTD (JP) 2003-07-30 EP disclosed
US-6020503-A Process for producing 1,4-benzodioxane derivatives DAISO CO., LTD. (JP) 2000-02-01 US disclosed
EP-0928791-A1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO., LTD. (JP) 1999-07-14 EP disclosed