SCHEMBL8324151

SCHEMBL8324151

COC(=O)/C=C/c1cccc(OCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 2/20 0.52
▸ HTT P42858 1/20 0.51
▸ FOS P01100 1/20 0.50
▸ JUN P05412 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ PPARG P37231 2/20 0.49
▸ PPARA Q07869 2/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.49
▸ ACMSD Q8TDX5 1/20 0.49
▸ FDPS P14324 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ APP P05067 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL19244362 0.86 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2PKMFOS
SCHEMBL19244360 0.86 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2PKMFOS
SCHEMBL29971843 0.84 ALDH1A1 (0.76) KDM4EALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL12617015 0.84 ALDH1A1 (0.76) KDM4EALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL12617165 0.84 ALDH1A1 (0.76) KDM4EALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL11681784 0.83 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PKMHTT
SCHEMBL11681779 0.83 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PKMHTT
SCHEMBL19244235 0.83 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2PKMFOS
SCHEMBL8322532 0.83 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2PKMHTT
SCHEMBL8325199 0.82 CA12 (0.58) KDM4EALDH1A1LMNAHTTPPARG

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
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — WO disclosed
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