SCHEMBL8405730

SCHEMBL8405730

CC(C)c1cc(OCC=C(Br)Br)cc(C(C)C)c1OCCCCl

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.32
RXRA P19793 2/20 0.31
PPARG P37231 2/20 0.31
RARG P13631 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8408875 0.96 GLRA1 (0.31) GLRA1RXRAPPARGRARG
SCHEMBL8408417 0.92 THRB (0.32) THRATHRB
SCHEMBL8407503 0.89 RXRA (0.31) RXRAPPARGRARGRARARARB
SCHEMBL8405658 0.89 THRA (0.32) RXRAPPARGRARGRARARARB
SCHEMBL8407533 0.89 THRB (0.32) THRATHRB
SCHEMBL8408513 0.88 THRA (0.31) RXRAPPARGRARGTHRATHRB
SCHEMBL8408868 0.88 GLRA1 (0.31) GLRA1RXRAPPARGRARG
SCHEMBL8408524 0.87 HTT (0.37) GLRA1RXRAPPARGRARGRARA
SCHEMBL8409223 0.83 HTT (0.36) GLRA1RXRAPPARGRARGRARA
SCHEMBL8408435 0.83 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