SCHEMBL8407304

SCHEMBL8407304

CC(C)c1cc(OCC=C(Br)Br)cc(Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRB1 P18505 3/20 0.40
THRA P10827 10/20 0.39
THRB P10828 10/20 0.39
GSR P00390 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GABRB2 P47870 2/20 0.33

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
SCHEMBL8405547 0.91 GSR (0.46) GABRA1GABRB1THRATHRBGSR
SCHEMBL8409112 0.87 GABRA1 (0.39) GABRA1GABRB1THRATHRBGSR
SCHEMBL8408990 0.85 THRA (0.38) GABRA1GABRB1THRATHRBGSR
SCHEMBL7979182 0.84 CYP3A4 (0.38) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL8405660 0.84 GSR (0.41) GABRA1GABRB1THRATHRBGSR
SCHEMBL8405358 0.84 THRB (0.39) GABRA1GABRB1THRATHRBGSR
SCHEMBL8407215 0.83 GSR (0.36) GABRA1GABRB1THRATHRBGSR
SCHEMBL8407153 0.80 PTGS2 (0.33)
SCHEMBL8406057 0.78 PTPN1 (0.35)
SCHEMBL8405435 0.77 PTGES (0.31)

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