SCHEMBL3411706

SCHEMBL3411706

C=C(C)C(=O)Oc1c(Br)cc(CCCC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.47
THRA P10827 9/20 0.47
TSHR P16473 2/20 0.38
GPR84 Q9NQS5 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL28061729 0.94 THRB (0.51) THRBTHRATSHRGPR84CYP3A4
SCHEMBL28827327 0.94 THRB (0.51) THRBTHRATSHRGPR84CYP3A4
SCHEMBL3412317 0.79 THRB (0.55) THRBTHRATSHRGPR84HPGD
SCHEMBL7708379 0.79 THRB (0.60) THRBTHRATSHRGPR84HTT
SCHEMBL7711136 0.79 THRB (0.60) THRBTHRATSHRGPR84HTT
SCHEMBL297222 0.77 HSD17B10 (0.44) THRBTSHRHPGDHTTALDH1A1
SCHEMBL7154880 0.77 THRB (0.48) THRBTHRAGPR84CYP3A4PTGS2
SCHEMBL7160671 0.77 THRB (0.48) THRBTHRAGPR84CYP3A4PTGS2
SCHEMBL10596657 0.75 THRB (0.38) THRBTHRATSHRHSD17B10
SCHEMBL16542783 0.74 ELANE (0.36) THRBTSHRHPGDHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107300831-A A kind of curable compositions solidified applied to LED light 常州强力电子新材料股份有限公司 2017-10-27 CN disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-20100015360-A1 AQUEOUS INK COMPOSITION, AQUEOUS INK COMPOSITION FOR INKJET RECORDING, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
EP-2145932-A1 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method Fujifilm Corporation (JP) 2010-01-20 EP disclosed
US-7217743-B2 Curable white ink KONICA CORPORATION (JP) 2007-05-15 US disclosed
US-6900250-B2 Polymerizable composition TOYO INK MFG. CO., LTD. (JP) 2005-05-31 US disclosed
US-20040019128-A1 Curable white ink KONICA CORPORATION (JP) 2004-01-29 US disclosed
US-20030212162-A1 Photopolymerization using photoinitiators TOYO INK MFG. CO., LTD. (JP) 2003-11-13 US disclosed