SCHEMBL6687486

SCHEMBL6687486

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.37
AKR1C4 P17516 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
PTPN1 P18031 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL6699382 0.78 AKR1C4 (0.33) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL6687489 0.74 TSHR (0.32) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL195519 0.71 AKR1C3 (0.42) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL4626489 0.69 AKR1C4 (0.52) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL71146 0.69 LCK (0.60) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL3664560 0.69 AKR1C3 (0.43) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL27754201 0.68 KMT2A (0.36) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL28218518 0.68 AKR1C3 (0.58) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL22802151 0.68 TSHR (0.43) AKR1C3AKR1C4AKR1C2AKR1C1LCK
SCHEMBL6690933 0.67 CYP1A2 (0.32)

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
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