SCHEMBL4726731

SCHEMBL4726731

CC(C)n1c2ccccc2c2cc(CC=O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
RORC P51449 2/20 0.47
NPY5R Q15761 6/20 0.47
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RORA P35398 1/20 0.39
RORB Q92753 1/20 0.39
PTGER4 P35408 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL28267718 0.83 KMT2A (0.49) KMT2AMEN1RORCNPY5RPOLB
SCHEMBL16099079 0.80 KDM4E (0.50) KMT2ARORCNPY5RPOLBMAPT
SCHEMBL6351807 0.80 POLB (0.67) KMT2ARORCNPY5RPOLBMAPT
SCHEMBL24667919 0.80 KMT2A (0.51) KMT2AMEN1RORCNPY5RPOLB
SCHEMBL4728764 0.78 MEN1 (0.56) KMT2AMEN1RORCNPY5RPOLB
SCHEMBL28266267 0.78 NPY5R (0.59) KMT2AMEN1RORCNPY5RMAPT
SCHEMBL16093698 0.78 ALDH1A1 (0.58) KMT2AMEN1RORCPOLBMAPT
SCHEMBL29780042 0.76 BCHE (0.59) KMT2AMEN1NPY5RPOLBMAPT
SCHEMBL150044 0.76 BCHE (0.59) KMT2AMEN1NPY5RPOLBMAPT
SCHEMBL26237871 0.75 MEN1 (0.59) KMT2AMEN1RORCNPY5RPOLB

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed