SCHEMBL28801149

SCHEMBL28801149

O=C(O)CCCCC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
ALDH1A1 P00352 1/20 0.65
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
HPGD P15428 1/20 0.58
MAPT P10636 1/20 0.58
HDAC8 Q9BY41 5/20 0.57
HDAC6 Q9UBN7 5/20 0.57
HDAC4 P56524 4/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC10 Q969S8 3/20 0.57
KDM4E B2RXH2 2/20 0.57
BRD4 O60885 1/20 0.57
NCOR1 O75376 1/20 0.57

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
SCHEMBL22773558 0.96 POLB (0.70) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL7829224 0.89 CYP1A1 (0.70) POLBKMT2AMEN1HPGDMAPT
SCHEMBL7107371 0.87 POLB (0.82) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL15480417 0.86 HDAC1 (0.73) KMT2AMEN1HDAC8HDAC6HDAC4
SCHEMBL4654699 0.86 MEN1 (0.63) POLBKMT2AMEN1HPGDHDAC8
SCHEMBL4420939 0.84 MEN1 (0.61) KMT2AMEN1HPGDHDAC8HDAC6
SCHEMBL22479429 0.84 MEN1 (0.61) POLBKMT2AMEN1HPGDHDAC8
SCHEMBL22463794 0.84 KMT2A (0.66) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL19263533 0.84 KMT2A (0.66) POLBKMT2AMEN1HPGDHDAC8
SCHEMBL1060805 0.83 HDAC4 (0.73) POLBALDH1A1KMT2AMEN1MAPT

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
CN-102952105-A Mycophenolic acid derivative, preparation method thereof and application thereof SHANGHAI INST MATERIA MEDICA 2013-03-06 CN disclosed