SCHEMBL23617221

SCHEMBL23617221

O=CC(=O)CC(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ ATM Q13315 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ HTT P42858 2/20 0.50
▸ TSHR P16473 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL20487435 0.76 ALOX15 (0.53) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL20491355 0.76 ALOX15 (0.56) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL10883891 0.76 HDAC3 (0.60) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL5804126 0.76 HDAC3 (0.59) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL1856302 0.76 GSK3B (0.59) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL5804124 0.76 HDAC3 (0.56) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL9618651 0.75 ALOX15 (0.51) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL22728863 0.74 ALOX15 (0.47) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL10455298 0.73 HDAC3 (0.54) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL19642631 0.73 ATM (0.54) ALOX15GFERADAM17ATMALDH1A1

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
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 — — EP disclosed
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