SCHEMBL8444331

SCHEMBL8444331

COc1ccc(/C=C/C(=O)NO)c(OCc2ccc(O)cc2)c1CC=C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 8/20 0.53
▸ PTPN1 P18031 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ABCB1 P08183 2/20 0.50
▸ HDAC3 O15379 3/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ TTR P02766 1/20 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
SCHEMBL7775479 0.93 HDAC8 (0.52) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7776748 0.93 HDAC8 (0.62) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7775563 0.93 HDAC8 (0.52) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7775518 0.93 HDAC8 (0.62) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL30039059 0.93 HDAC8 (0.62) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7775463 0.92 HDAC8 (0.51) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7780908 0.92 HDAC8 (0.51) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7776299 0.92 HDAC8 (0.51) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7775559 0.92 HDAC8 (0.51) HDAC8PTPN1MAPTMEN1LMNA
SCHEMBL7776750 0.92 HDAC8 (0.50) HDAC8PTPN1MAPTMEN1LMNA

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-2236503-A1 Cinamic compounds and derivatives therefrom for the inhibition of histone deacetylase NatureWise Biotech & Medicals Corporation (TW) 2010-10-06 — — EP disclosed
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