SCHEMBL880200

SCHEMBL880200

Cc1cc(Br)c(O)c(-c2cc(C)cc(Br)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PLG P00747 2/20 0.43
PLAU P00749 2/20 0.43
PLAT P00750 2/20 0.43
PRSS1 P07477 2/20 0.43

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
SCHEMBL18171930 0.86 MEN1 (0.43) GABRA1GABRB1GABRA2GABRB2CA2
SCHEMBL1502445 0.86 CYP3A4 (0.58) GABRA1GABRB1GABRA2GABRB2CA2
SCHEMBL13044877 0.84 GABRA1 (0.41) GABRA1GABRB1GABRA2GABRB2CA2
Methane SCHEMBL21814228 0.83 CYP3A4 (0.55) GABRA1GABRB1GABRA2GABRB2CA2
SCHEMBL5086984 0.81 CRHBP (0.53) TSHRF2F10PLGPLAU
SCHEMBL24086818 0.81 MAPT (0.40) GABRA1GABRB1GABRA2GABRB2SELL
SCHEMBL30286388 0.81 MAPT (0.40) GABRA1GABRB1GABRA2GABRB2SELL
SCHEMBL30286347 0.81 GABRA1 (0.39) GABRA1GABRB1GABRA2GABRB2CA2
SCHEMBL25403070 0.81 GABRA1 (0.39) GABRA1GABRB1GABRA2GABRB2CA2
SCHEMBL13045187 0.81 CRHBP (0.48) GABRA1GABRB1GABRA2GABRB2CA2

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
US-8449755-B2 Process for the anodic dehydrodimerization of substituted phenols BASF SE (DE) 2013-05-28 US disclosed
US-8449755-B2 Process for the anodic dehydrodimerization of substituted phenols BASF SE (DE) 2013-05-28 US disclosed
EP-2318569-B1 METHOD FOR ANODIC DEHYDRODIMERISATION OF SUBSTITUTED PHENOLS BASF SE (DE) 2012-03-28 EP disclosed
US-20110147228-A1 PROCESS FOR THE ANODIC DEHYDRODIMERIZATION OF SUBSTITUTED PHENOLS BASF SE (DE) 2011-06-23 US disclosed
US-20110147228-A1 PROCESS FOR THE ANODIC DEHYDRODIMERIZATION OF SUBSTITUTED PHENOLS BASF SE (DE) 2011-06-23 US disclosed
WO-2010023258-A1 METHOD FOR ANODIC DEHYDRODIMERISATION OF SUBSTITUTED ARYLALCOHOLS BASF SE (DE) 2010-03-04 WO disclosed