SCHEMBL890428

SCHEMBL890428

COc1cc(OC)c(-c2cc(C)cc(OC)c2O)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
ERN1 O75460 4/20 0.45
TNKS2 Q9H2K2 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
EGFR P00533 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
LCK P06239 1/20 0.37
TNKS O95271 1/20 0.36

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
SCHEMBL890444 0.87 ERN1 (0.49) ALOX5PTGS2ERN1TNKS2ACHE
SCHEMBL7520392 0.85 ERN1 (0.57) ALOX5PTGS2ERN1TNKS2ACHE
SCHEMBL16014668 0.82 ALOX5 (0.46) ALOX5PTGS2ERN1TNKS2ALOX15
SCHEMBL18535615 0.81 ERN1 (0.44) ALOX5PTGS2ERN1TNKS2ACHE
SCHEMBL3292936 0.81 ALOX5 (0.67) ALOX5PTGS2ERN1ALOX15ALOX12
SCHEMBL18525393 0.81 ERN1 (0.46) ALOX5PTGS2ERN1TNKS2ACHE
SCHEMBL890499 0.79 ACHE (0.55) ALOX5PTGS2ERN1TNKS2ALOX12
SCHEMBL18523530 0.79 ACHE (0.50) ALOX5PTGS2ERN1TNKS2ACHE
SCHEMBL16024748 0.78 ERN1 (0.50) ALOX5PTGS2ERN1TNKS2ACHE
SCHEMBL18523536 0.78 ERN1 (0.41) ALOX5PTGS2ERN1TNKS2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8747646-B2 Process for the anodic cross-dehydrodimerization of arenes BASF SE (DE) 2014-06-10 US disclosed
EP-2438214-B1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2013-05-29 EP disclosed
EP-2438214-A1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2012-04-11 EP disclosed
US-20120080320-A1 PROCESS FOR THE ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2012-04-05 US disclosed
WO-2010139685-A1 METHOD FOR ANODIC CROSS-DEHYDRODIMERIZATION OF ARENES BASF SE (DE) 2010-12-09 WO disclosed