SCHEMBL4444347

SCHEMBL4444347

C=CCOc1ccc(Cl)c(Br)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
HTR2C P28335 9/20 0.46
HTR2A P28223 6/20 0.46
HPGD P15428 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.38
LIG1 P18858 1/20 0.38
HTR2B P41595 5/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23216966 0.87 HTR2C (0.51) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL25661 0.81 HPGD (0.45) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL28627196 0.77 HTR2C (0.55) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL15758082 0.76 HPGD (0.53) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL4444346 0.76 TSHR (0.46) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL9545358 0.76 HPGD (0.57) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL23216493 0.73 HTR2C (0.49) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL29782302 0.73 HTR2C (0.49) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL23226950 0.73 HTR2C (0.55) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL23215810 0.73 HTR2C (0.51) ADRA2AADRA2BADRA2CTSHRGAA

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