SCHEMBL10041849

SCHEMBL10041849

Bc1cc(Br)cc(Br)c1Oc1nc(Oc2c(Br)cc(Br)cc2Br)nc(Oc2c(Br)cc(Br)cc2Br)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 4/20 0.33
ALOX12 P18054 3/20 0.33
AKR1B1 P15121 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL95398 0.89 HSD17B10 (0.39) HSD17B10ALOX15ALOX12AKR1B1TDP1
SCHEMBL4315763 0.80 HSP90AA1 (0.38) HSD17B10ALOX15ALOX12AKR1B1TDP1
SCHEMBL13865241 0.80 HSD17B10 (0.38) HSD17B10ALOX15ALOX12AKR1B1TDP1
SCHEMBL13865237 0.76 HSD17B10 (0.38) HSD17B10ALOX15ALOX12AKR1B1TDP1
SCHEMBL6822649 0.76 ALOX15 (0.42) HSD17B10ALOX15ALOX12TDP1ALDH1A1
SCHEMBL3803700 0.72 TDP1 (0.45) HSD17B10ALOX15ALOX12AKR1B1TDP1
SCHEMBL2123860 0.69 ALOX15 (0.34) HSD17B10ALOX15ALOX12AKR1B1TDP1
SCHEMBL6060636 0.67 HSP90AA1 (0.35) ALDH1A1
SCHEMBL13868098 0.64 RAB9A (0.31)
SCHEMBL13369758 0.61 CA2 (0.42) HSD17B10ALOX15ALOX12TDP1ALDH1A1

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
WO-2012088080-A1 ANTIMONY TRIOXIDE FREE FLAME RETARDANT THERMOPLASTIC COMPOSITION ICL-IP AMERICA INC. (US) 2012-06-28 WO disclosed