SCHEMBL8409086

SCHEMBL8409086

CC(C)c1cc(OCC=C(Cl)Cl)cc(F)c1O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
HTT P42858 1/20 0.37
GABRA1 P14867 4/20 0.35
GABRB1 P18505 3/20 0.35
GABRB2 P47870 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
RPS6KA3 P51812 1/20 0.31

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
SCHEMBL8405783 0.90 GABRA1 (0.44) GSRTHRATHRBHTTGABRA1
SCHEMBL8405660 0.86 GSR (0.41) GSRTHRATHRBGABRA1GABRB1
SCHEMBL8405404 0.85 HTT (0.41) HTT
SCHEMBL8407735 0.84 GABRA1 (0.40) GSRTHRATHRBHTTGABRA1
SCHEMBL8409056 0.84 HTT (0.38) GSRTHRATHRBHTTGABRA1
SCHEMBL8409112 0.83 GABRA1 (0.39) GSRTHRATHRBHTTGABRA1
SCHEMBL8407288 0.82 HTT (0.39) GSRTHRATHRBHTTGABRA1
SCHEMBL8405332 0.81 HTT (0.39) HTT
SCHEMBL8405762 0.79 HTT (0.37) HTT
SCHEMBL8405655 0.78 HTT (0.40) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed