SCHEMBL7768952

SCHEMBL7768952

COC(=O)Oc1cc2cc(Br)ccc2cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MCL1 Q07820 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NCEH1 Q6PIU2 4/20 0.44
LMNA P02545 4/20 0.42
RXFP1 Q9HBX9 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 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
SCHEMBL7763880 0.84 KMT2A (0.48) MAPTKDM4EKMT2AMEN1HPGD
SCHEMBL7769003 0.83 KDM4E (0.46) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL10437720 0.83 MAPT (0.44) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL13892401 0.82 ALOX15 (0.47) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL7136988 0.82 KDM4E (0.50) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL9621747 0.77 KMT2A (0.70) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL8661668 0.75 MEN1 (0.59) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL23388820 0.74 ALDH1A1 (0.50) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL29750502 0.74 ALDH1A1 (0.50) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL26667049 0.72 HPGD (0.48) MAPTKDM4EPOLBKMT2AMEN1

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
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed