SCHEMBL6690566

SCHEMBL6690566

O=C(O)c1cc(Br)c(CC(Br)CBr)c(CC(Br)CBr)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL28237196 0.80
SCHEMBL6690570 0.79
SCHEMBL6703539 0.76 PTPN1 (0.38) PTPN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4380669 0.76 ALDH1A1 (0.34) TSHR
SCHEMBL96057 0.75 CYP1A2 (0.31)
SCHEMBL94558 0.74 CYP1A2 (0.39) PTPN1TSHRHSD17B10
SCHEMBL28237108 0.69 SIRT1 (0.33)
SCHEMBL6687486 0.66 AKR1C3 (0.37) PTPN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22802151 0.65 TSHR (0.43) PTPN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14989289 0.65 AKR1C2 (0.40) AKR1C3AKR1C2AKR1C1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209967-A1 FLAME RETARDED STYRENIC POLYMER FOAMS ALBEMARLE CORPORATION 2004-10-21 US claimed
WO-2004094517-A1 FLAME RETARDED STYRENIC POLYMER FOAMS ALBEMARLE CORPORATION (US) 2004-11-04 WO disclosed
US-20040209967-A1 FLAME RETARDED STYRENIC POLYMER FOAMS ALBEMARLE CORPORATION 2004-10-21 US disclosed