SCHEMBL28044574

SCHEMBL28044574

C=COC(=O)CCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.47
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
IDO1 P14902 2/20 0.43
AKT1 P31749 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL23392491 0.84 PKM (0.54) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL251039 0.83 PAM (0.59) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL7657357 0.83 PAM (0.53) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL7657362 0.83 PAM (0.53) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL19452350 0.80 AKT1 (0.62) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL7571411 0.80 AKT1 (0.62) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL9419458 0.79 MEN1 (0.51) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL827396 0.79 EGFR (0.52) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL13631648 0.79 MEN1 (0.51) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL827395 0.79 EGFR (0.52) PAMHDAC3HDAC4HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085764-B Polystyrene vinyl propionate and preparation method and application thereof 中国石油天然气股份有限公司 2017-12-05 CN disclosed
CN-105085764-B Polystyrene vinyl propionate and preparation method and application thereof 中国石油天然气股份有限公司 2017-12-05 CN disclosed
CN-105085764-A Polystyrene vinyl propionate and preparation method and application thereof PETROCHINA CO LTD 2015-11-25 CN disclosed