SCHEMBL19590449

SCHEMBL19590449

CC(=O)C(C)(O)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PER2 O15055 6/20 0.49
KDM4E B2RXH2 2/20 0.49
AR P10275 2/20 0.48
POLB P06746 1/20 0.47
FABP4 P15090 3/20 0.46
FABP5 Q01469 3/20 0.46
FABP3 P05413 1/20 0.46
TSPO P30536 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL18715068 1.00 PER2 (0.49) PER2KDM4EARPOLBFABP4
SCHEMBL1128885 0.80 CYP1A2 (0.52) PER2KDM4EFABP4FABP5FABP3
SCHEMBL26309809 0.75 CYP1A2 (0.56) PER2KDM4EFABP4FABP5FABP3
SCHEMBL13111957 0.75 CYP1A2 (0.56) PER2KDM4EPOLBFABP4FABP5
SCHEMBL18539423 0.73 CYP1A2 (0.48) PER2KDM4EFABP4FABP5FABP3
SCHEMBL1128466 0.72 KDM4E (0.68) KDM4EPOLBFABP4FABP5FABP3
SCHEMBL5186287 0.71 PSEN1 (0.45) KDM4EPOLBTSPOCYP1A2CYP2C19
SCHEMBL27622802 0.71 POLB (0.53) PER2KDM4EPOLBFABP4FABP5
SCHEMBL12386908 0.71 CYP1A2 (0.50) PER2KDM4EPOLBTSPOCYP1A2
SCHEMBL14421423 0.69 FABP4 (0.70) KDM4EPOLBFABP4FABP5FABP3

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
US-9814698-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-11-14 US disclosed