SCHEMBL7066894

SCHEMBL7066894

C=C(CCCCCCOc1c(Br)cc(Br)cc1C(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.41
THRB P10828 8/20 0.41
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL7065792 1.00 THRA (0.41) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7067550 0.95 THRA (0.40) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7067884 0.91 THRB (0.40) THRATHRBKDM4EMEN1KMT2A
SCHEMBL449703 0.81 THRA (0.44) THRATHRBKDM4EMEN1KMT2A
SCHEMBL1805856 0.81 TSHR (0.44) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7065789 0.80 THRA (0.39) THRATHRBKDM4EMEN1KMT2A
SCHEMBL1535013 0.79 GABRA1 (0.37) THRATHRBKDM4EMEN1KMT2A
SCHEMBL4646137 0.79 GABRA1 (0.41) THRATHRBKDM4EMEN1KMT2A
SCHEMBL3742121 0.78 TSHR (0.46) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7063664 0.78 THRA (0.52) THRATHRBKDM4EMEN1KMT2A

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
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP claimed