SCHEMBL890435

SCHEMBL890435

COc1ccc(OC)c(-c2cc(C)cc(OC)c2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 1/20 0.44
ERN1 O75460 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
LCK P06239 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL890499 0.88 ACHE (0.55) HDAC4HDAC2HDAC8KDM4ESMN1; SMN2
SCHEMBL18523538 0.87 ERN1 (0.51) HDAC4HDAC2HDAC8CA12CA1
SCHEMBL18523531 0.85 PTPN1 (0.44) HDAC4HDAC2HDAC8CA12CA1
SCHEMBL7520392 0.84 ERN1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL196223 0.80 CA12 (0.68) HDAC4HDAC2HDAC8CA12CA1
SCHEMBL890444 0.79 ERN1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL18523530 0.77 ACHE (0.50) KDM4EERN1ALDH1A1MAPTACHE
SCHEMBL16024748 0.77 ERN1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL24740979 0.76 MAPT (0.52) KDM4ESMN1; SMN2ALOX15ERN1ALDH1A1
SCHEMBL16014627 0.76 ACHE (0.48) ERN1ALDH1A1MAPTHPGDACHE

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 4 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-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