SCHEMBL989012

SCHEMBL989012

O=CCc1ccc(O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HDAC1 Q13547 8/20 0.44
HDAC6 Q9UBN7 8/20 0.44
XDH P47989 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GABRA1 P14867 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PPARG P37231 1/20 0.42
GABRB2 P47870 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARD Q03181 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL15541448 0.83 XDH (0.44) ALOX15XDHKDM4EMEN1ALDH1A1
SCHEMBL332664 0.82 XDH (0.68) ALOX15HDAC1HDAC6XDHKDM4E
SCHEMBL28879804 0.80 PTPRC (0.36) XDHKDM4E
SCHEMBL891837 0.80 XDH (0.65) ALOX15XDHKDM4EMEN1ALDH1A1
SCHEMBL29929036 0.80 XDH (0.65) ALOX15XDHKDM4EMEN1ALDH1A1
SCHEMBL5031178 0.78 CA1 (0.61) ALOX15HDAC1HDAC6KDM4EMEN1
SCHEMBL11528973 0.78 ALOX15 (0.54) ALOX15HDAC1HDAC6KDM4EALDH1A1
SCHEMBL28409734 0.77 SNCA (0.33) SNCA
SCHEMBL5448098 0.76 ALOX15 (0.52) ALOX15HDAC1HDAC6DBHHDAC3
SCHEMBL1390986 0.76 ALOX15 (0.52) ALOX15HDAC1HDAC6KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 WO disclosed