SCHEMBL7067548

SCHEMBL7067548

C/C(=C\CCOc1c(Br)cc(Br)cc1C(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MCL1 Q07820 1/20 0.37
RXRA P19793 4/20 0.36
PPARG P37231 4/20 0.36
RARG P13631 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35

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
SCHEMBL7065789 0.91 THRA (0.39) THRATHRBKDM4EMEN1KMT2A
SCHEMBL453440 0.88 KDM4E (0.46) THRATHRBKDM4EMEN1KMT2A
SCHEMBL10530252 0.88 KDM4E (0.46) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7067884 0.78 THRB (0.40) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7067550 0.77 THRA (0.40) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7065792 0.75 THRA (0.41) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7066894 0.75 THRA (0.41) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7067190 0.75 THRA (0.46) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7066921 0.74 THRB (0.43) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL7062178 0.74 TSHR (0.40) THRATHRBMEN1KMT2ATDP1

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