SCHEMBL20781123

SCHEMBL20781123

CC(C)(C)CC(C)(C)c1ccc(CCc2cccc(O)c2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.60
EP300 Q09472 2/20 0.60
KAT5 Q92993 2/20 0.60
SOX18 P35713 1/20 0.54
BID P55957 7/20 0.52
MCL1 Q07820 7/20 0.52
BCL2L1 Q07817 6/20 0.52
BAK1 Q16611 6/20 0.52
SAE1 Q9UBE0 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
MMP2 P08253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43

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
SCHEMBL23683089 0.85 KAT8 (0.57) KAT8EP300KAT5SOX18BID
SCHEMBL574679 0.79 KAT8 (0.69) KAT8EP300KAT5SOX18BID
SCHEMBL21530605 0.79 BID (0.79) KAT8EP300KAT5SOX18BID
SCHEMBL20771694 0.75 KAT8 (1.00) KAT8EP300KAT5SOX18BID
SCHEMBL20781114 0.73 CA12 (0.52) KAT8EP300KAT5BIDMCL1
SCHEMBL21651081 0.73 BID (0.55) KAT8EP300KAT5SOX18BID
SCHEMBL22331059 0.72 KAT8 (0.60) KAT8EP300KAT5SOX18BID
SCHEMBL2129140 0.71 BID (0.76) KAT8EP300KAT5SOX18BID
SCHEMBL20333017 0.70 SOX18 (1.00) KAT8EP300KAT5SOX18BID
SCHEMBL3954149 0.69 BID (0.67) KAT8EP300KAT5BIDMCL1

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
EP-3675880-B1 TARGETED EPIGENETIC THERAPY FOR INHERITED AORTIC ANEURYSM CONDITION UNIV JOHNS HOPKINS (US) 2023-06-07 EP disclosed
WO-2019046791-A9 TARGETED EPIGENETIC THERAPY FOR INHERITED AORTIC ANEURYSM CONDITION THE JOHNS HOPKINS UNIVERSITY (US) 2022-07-07 WO disclosed
WO-2019046791-A1 TARGETED EPIGENETIC THERAPY FOR INHERITED AORTIC ANEURYSM CONDITION THE JOHNS HOPKINS UNIVERSITY (US) 2019-03-07 WO disclosed