SCHEMBL9482152

SCHEMBL9482152

OC[C@@H]1Oc2cccc(F)c2O[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.32
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9481539 1.00 CA2 (0.38) CA2L3MBTL1MAPK1ADRA1DADRA1A
SCHEMBL9525389 0.81 MAP3K14 (0.35) HPGD
SCHEMBL9526215 0.80 SLC5A2 (0.31)
SCHEMBL9526092 0.78 AHR (0.41) CA2ADRA1DADRA1AADRA1B
SCHEMBL10980338 0.75 CA2 (0.36) CA2ADRA1A
SCHEMBL10977242 0.75 CA2 (0.36) CA2ADRA1A
SCHEMBL1021052 0.74 ADRA1A (0.47) CA2L3MBTL1MAPK1ADRA1DADRA1A
SCHEMBL9526205 0.74 DPP4 (0.42) ADRA1DADRA1AADRA1BHPGD
SCHEMBL8125243 0.74 CA2 (0.58) CA2L3MBTL1MAPK1ADRA1AHPGD
SCHEMBL6974656 0.74 ADRA1A (0.47) CA2L3MBTL1MAPK1ADRA1DADRA1A

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-0532100-A1 Benzodioxinopyrrole derivative as alpha 2-adrenoreceptor antagonist GLAXO GROUP LIMITED (GB) 1993-03-17 EP disclosed
US-5190967-A Sexual dysfunction GLAXO GROUP LIMITED (GB) 1993-03-02 US disclosed