SCHEMBL8408513

SCHEMBL8408513

CC(C)c1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCCO

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RARG P13631 2/20 0.30
RXRA P19793 2/20 0.30
PPARG P37231 2/20 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
SCHEMBL8405658 0.96 THRA (0.32) THRATHRBRARGRXRAPPARG
SCHEMBL8405821 0.91 THRB (0.33) THRATHRB
SCHEMBL8408868 0.89 GLRA1 (0.31) RARGRXRAPPARG
SCHEMBL8408875 0.89 GLRA1 (0.31) RARGRXRAPPARG
SCHEMBL8405730 0.88 GLRA1 (0.32) THRATHRBRARGRXRAPPARG
SCHEMBL8407503 0.88 RXRA (0.31) THRATHRBRARGRXRAPPARG
SCHEMBL8405767 0.87 THRB (0.34) THRATHRB
SCHEMBL8408452 0.86 HTT (0.35) THRATHRBALDH1A1LMNARARG
SCHEMBL8408782 0.82 HTT (0.36) THRATHRBRARGRXRAPPARG
SCHEMBL8407533 0.82 THRB (0.32) THRATHRB

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