SCHEMBL23169263

SCHEMBL23169263

CCCCCC(=O)Nc1ccccc1B(O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.62
▸ SOAT1 P35610 2/20 0.61
▸ TSHR P16473 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ PLA2G1B P04054 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ATG4B Q9Y4P1 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ EP300 Q09472 1/20 0.56
▸ HDAC3 O15379 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL9395051 0.85 CETP (0.77) CETPSOAT1TSHRKMT2ALMNA
SCHEMBL5878480 0.85 CETP (0.77) CETPSOAT1TSHRKMT2ALMNA
SCHEMBL6358215 0.82 ALDH1A1 (0.50) LMNANPSR1SMN1; SMN2MAPK1
SCHEMBL11446154 0.81 HDAC3 (0.77) CETPSOAT1TSHREP300HDAC3
SCHEMBL3155514 0.79 EP300 (0.69) CETPSOAT1TSHREP300HDAC3
SCHEMBL8446067 0.79 EP300 (0.69) CETPSOAT1TSHREP300HDAC3
SCHEMBL1133527 0.79 EP300 (0.69) CETPSOAT1TSHREP300HDAC3
SCHEMBL1161259 0.79 EP300 (0.69) CETPSOAT1TSHREP300HDAC3
SCHEMBL6920533 0.79 EP300 (0.69) CETPSOAT1TSHREP300HDAC3
SCHEMBL78300 0.79 CETP (0.73) CETPSOAT1TSHRKMT2ALMNA

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
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