SCHEMBL677393

SCHEMBL677393

CCC(O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(O)COc3c(Br)cc(Br)cc3Br)c(Br)c2)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPT P10636 4/20 0.45
TSHR P16473 3/20 0.44
THRB P10828 3/20 0.39
THRA P10827 2/20 0.39
ALOX15 P16050 3/20 0.39
HIF1A Q16665 2/20 0.39
ALOX12 P18054 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL14601519 0.94 ALDH1A1 (0.60) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL12197650 0.94 ALDH1A1 (0.60) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL677415 0.94 ALDH1A1 (0.60) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL14681885 0.90 ALDH1A1 (0.56) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL13346360 0.89 ALDH1A1 (0.55) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL13346359 0.89 ALDH1A1 (0.55) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL16352073 0.89 ALDH1A1 (0.55) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL16352074 0.89 ALDH1A1 (0.55) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL21917342 0.89 ALDH1A1 (0.55) ALDH1A1MAPTTSHRTHRBTHRA
SCHEMBL14212727 0.89 ALDH1A1 (0.55) ALDH1A1MAPTTSHRTHRBTHRA

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-8067497-B2 Flame-retardant for engineering thermoplastic applications BROMINE COMPOUNDS LTD. (IL) 2011-11-29 US disclosed