SCHEMBL7708426

SCHEMBL7708426

C=CC(=O)OCCCCCCOc1c(Br)cc(Br)cc1CCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
THRB P10828 7/20 0.46
THRA P10827 5/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
APP P05067 4/20 0.37
HCAR2 Q8TDS4 2/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
ALOX5 P09917 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
SCHEMBL7702677 0.97 THRB (0.44) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL6514876 0.84 THRB (0.54) TSHRHPGDTHRBTHRAALOX5
SCHEMBL10717185 0.82 THRB (0.44) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL7708373 0.81 THRB (0.60) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL7705505 0.81 THRB (0.60) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL7708479 0.81 TSHR (0.49) TSHRTHRBTHRAALDH1A1S1PR2
SCHEMBL10605595 0.80 TSHR (0.50) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL7063664 0.80 THRA (0.52) THRBTHRAALDH1A1S1PR2S1PR1
SCHEMBL447953 0.79 THRB (0.51) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL7067194 0.78 THRA (0.50) TSHRTHRBTHRAALDH1A1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359170-B1 Brominated materials 3M INNOVATIVE PROPERTIES COMPANY 2002-03-19 US claimed