SCHEMBL4444346

SCHEMBL4444346

C=CCOc1ccc(Br)c(Br)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2C P28335 8/20 0.41
HTR2A P28223 6/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2B P41595 4/20 0.39
MAPK1 P28482 2/20 0.38
LIG1 P18858 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 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
SCHEMBL25661 0.83 HPGD (0.45) TSHRGAAADRA2AADRA2BADRA2C
SCHEMBL23216966 0.79 HTR2C (0.51) TSHRGAAADRA2AADRA2BADRA2C
SCHEMBL4444347 0.76 ADRA2A (0.48) TSHRGAAADRA2AADRA2BADRA2C
SCHEMBL28627196 0.76 HTR2C (0.55) TSHRGAAADRA2AADRA2BADRA2C
SCHEMBL31399005 0.75 GAA (0.62) TSHRGAAHPGDALDH1A1MEN1
SCHEMBL929686 0.75 GAA (0.62) TSHRGAAHPGDALDH1A1MEN1
SCHEMBL11699516 0.74 LIG1 (0.46) TSHRGAAADRA2AADRA2BADRA2C
SCHEMBL5447967 0.73 HPGD (0.43) TSHRGAAADRA2AADRA2BADRA2C
SCHEMBL23216493 0.72 HTR2C (0.49) TSHRGAAADRA2AADRA2BADRA2C
SCHEMBL29782302 0.72 HTR2C (0.49) TSHRGAAADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513346-B2 Flame retardant composition for use in styrenics CHEMTURA CORPORATION (US) 2013-08-20 US disclosed
US-20120184638-A1 Flame Retardant Composition for Use in Styrenics LANXESS SOLUTIONS US INC. 2012-07-19 US disclosed
EP-2115059-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2009-11-11 EP disclosed
WO-2008127753-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2008-10-23 WO disclosed
US-20080221239-A1 Flame retardant composition for use in styrenics RECREATIONAL WATER PRODUCTS, INC. 2008-09-11 US disclosed
EP-0023415-A2 A method of mounting ventilators, lights and the like in sealed relation to an opening and a preformed sealing material for use in such a method COLT INTERNATIONAL HOLDINGS A.G. (CH) 1981-02-04 EP disclosed