SCHEMBL8405358

SCHEMBL8405358

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.39
THRA P10827 9/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GSR P00390 1/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.32
GABRB2 P47870 1/20 0.32
RORC P51449 1/20 0.30

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 0.90 GSR (0.46) THRBTHRAGABRA1GABRB1GSR
SCHEMBL8407735 0.87 GABRA1 (0.40) THRBTHRAGABRA1GABRB1GSR
SCHEMBL7977624 0.85 HSD17B10 (0.37) THRBLMNA
SCHEMBL8407304 0.84 GABRA1 (0.40) THRBTHRAGABRA1GABRB1GSR
SCHEMBL8408990 0.84 THRA (0.38) THRBTHRAGABRA1GABRB1GSR
SCHEMBL8405660 0.83 GSR (0.41) THRBTHRAGABRA1GABRB1GSR
SCHEMBL8407215 0.82 GSR (0.36) THRBTHRAGABRA1GABRB1GSR
SCHEMBL7981782 0.81 MCL1 (0.33) LMNA
SCHEMBL8408417 0.80 THRB (0.32) THRBTHRARORC
SCHEMBL8407533 0.79 THRB (0.32) THRBTHRARORC

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