SCHEMBL676687

SCHEMBL676687

CCC(O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC3CO3)c(Br)c2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 5/20 0.43
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
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
GLA P06280 2/20 0.33
VDR P11473 1/20 0.33
CYP3A4 P08684 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
HSD17B10 Q99714 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
SCHEMBL3746342 0.94 ALDH1A1 (0.50) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL13003246 0.92 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL677953 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL13085712 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL14601522 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL14601521 0.90 ALDH1A1 (0.44) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL15788352 0.89 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL13020555 0.86 ALDH1A1 (0.43) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL12197650 0.86 ALDH1A1 (0.60) ALDH1A1TSHRMAPTKMT2AHPGD
SCHEMBL1104781 0.86 ALDH1A1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8991321-B2 Flame retarded compositions BROMINE COMPOUNDS LTD. (IL) 2015-03-31 US disclosed
US-8067497-B2 Flame-retardant for engineering thermoplastic applications BROMINE COMPOUNDS LTD. (IL) 2011-11-29 US disclosed