SCHEMBL28367287

SCHEMBL28367287

COC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
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
HSD17B3 P37058 1/20 0.45
MEN1 O00255 3/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL13172008 0.92 APP (0.63) APPALDH1A1MAPTKMT2ALMNA
SCHEMBL4005429 0.86 MAPT (0.61) APPALDH1A1MAPTKMT2ALMNA
SCHEMBL28367377 0.83 KMT2A (0.62) APPALDH1A1MAPTKMT2ALMNA
SCHEMBL15426941 0.81 KDM4E (0.56) ALDH1A1MAPTCYP3A4
SCHEMBL26080815 0.81 MAPT (0.47) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL6005632 0.81 MEN1 (0.58) MAPTKMT2AMEN1
SCHEMBL3430755 0.81 MEN1 (0.58) MAPTKMT2AMEN1
SCHEMBL1514195 0.80 THRB (0.50) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL5645074 0.80 THRB (0.50) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL701807 0.80 HDAC3 (0.54) APPALDH1A1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914322-B Polymerizable composition for optical material, and use thereof 三井化学株式会社 2022-08-23 CN disclosed
CN-110914322-A Polymerizable composition for optical material, and use thereof 三井化学株式会社 2020-03-24 CN disclosed