SCHEMBL890499

SCHEMBL890499

COc1ccc(C)cc1-c1cc(C)cc(OC)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
TNKS2 Q9H2K2 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MDM2 Q00987 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL18523530 0.89 ACHE (0.50) ACHEERN1ALDH1A1CYP3A4TNKS2
SCHEMBL7520392 0.88 ERN1 (0.57) ACHEERN1ALDH1A1TNKS2KMT2A
SCHEMBL890435 0.88 HDAC4 (0.55) ACHEERN1ALDH1A1HDAC4HDAC2
SCHEMBL16015010 0.87 ACHE (0.48) ACHEERN1ALDH1A1CYP3A4TNKS2
SCHEMBL16014627 0.87 ACHE (0.48) ACHEERN1ALDH1A1CYP3A4TNKS2
SCHEMBL890444 0.83 ERN1 (0.49) ACHEERN1ALDH1A1CYP3A4TNKS2
SCHEMBL16024748 0.81 ERN1 (0.50) ACHEERN1ALDH1A1TNKS2KMT2A
SCHEMBL7911724 0.81 GABRA1 (0.54) ACHEALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL24740979 0.80 MAPT (0.52) ACHEERN1ALDH1A1CYP3A4TNKS2
SCHEMBL16024745 0.80 ERN1 (0.46) ACHEERN1ALDH1A1CYP3A4TNKS2

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