SCHEMBL23169262

SCHEMBL23169262

CCCCCNC(=O)c1ccccc1B(O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
HTT P42858 1/20 0.68
NAAA Q02083 3/20 0.66
HPGD P15428 2/20 0.62
HCRTR1 O43613 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
ALOX5 P09917 2/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX15 P16050 3/20 0.50

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
SCHEMBL11078107 0.85 HTT (0.86) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL11089468 0.85 HTT (0.86) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL9260536 0.85 HTT (0.86) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL5362359 0.85 HTT (0.86) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL19347405 0.84 HTT (0.54) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL19210845 0.81 TSHR (1.00) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL13328785 0.81 TSHR (0.77) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL19347407 0.81 TSHR (0.49) TSHRHTTHPGDHCRTR1ALDH1A1
SCHEMBL1648484 0.81 NAAA (0.97) TSHRHTTNAAAHPGDHCRTR1
SCHEMBL28810855 0.81 HTT (0.77) TSHRHTTNAAAHPGDHCRTR1

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
US-20210096081-A1 POLYMER DYE FOR DETECTING HYDROGEN PEROXIDE AND STRUCTURE FOR DETECTING HYDROGEN PEROXIDE CANON KABUSHIKI KAISHA (JP) 2021-04-01 US disclosed