SCHEMBL14601522

SCHEMBL14601522

CC(C)(c1cc(Br)c(OCC(O)COc2c(Br)cc(Br)cc2Br)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 5/20 0.44
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
GLA P06280 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 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
SCHEMBL677953 1.00 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL3746342 0.96 ALDH1A1 (0.50) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL17943928 0.94 ALDH1A1 (0.42) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL13085712 0.93 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL13003246 0.92 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL15788352 0.92 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL676687 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL14601521 0.90 ALDH1A1 (0.44) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL13238280 0.88 KMT2A (0.52) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL16727408 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMAPTKMT2AHPGD

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-20070018143-A1 Flame retardant composition exhibiting superior thermal stability and flame retarding properties and use thereof ALBEMARLE CORPORATION 2007-01-25 US disclosed