SCHEMBL6687489

SCHEMBL6687489

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GPR35 Q9HC97 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 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
SCHEMBL6698948 0.76
SCHEMBL6698213 0.76
SCHEMBL6687486 0.74 AKR1C3 (0.37) TSHRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22802151 0.74 TSHR (0.43) TSHRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28264157 0.70 TSHR (0.40) TSHRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL195519 0.69 AKR1C3 (0.42) TSHRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6688851 0.66 TSHR (0.33) TSHRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28218518 0.65 AKR1C3 (0.58) TSHRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6690933 0.65 CYP1A2 (0.32)
SCHEMBL17923823 0.64 ALDH1A1 (0.44) TSHRAKR1C3HSD17B10KDM4E

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