SCHEMBL8405783

SCHEMBL8405783

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.44
GABRB1 P18505 5/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
GSR P00390 1/20 0.42
HTT P42858 1/20 0.41
GABRB2 P47870 4/20 0.40
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRA6 Q16445 2/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8407735 0.91 GABRA1 (0.40) GABRA1GABRB1CA1CA2GSR
SCHEMBL8409056 0.91 HTT (0.38) GABRA1GABRB1CA1CA2GSR
SCHEMBL8409086 0.90 GSR (0.37) GABRA1GABRB1CA1CA2GSR
SCHEMBL8409112 0.90 GABRA1 (0.39) GABRA1GABRB1CA1CA2GSR
SCHEMBL8407288 0.88 HTT (0.39) GABRA1GABRB1CA1CA2GSR
SCHEMBL8405547 0.83 GSR (0.46) GABRA1GABRB1CA1CA2GSR
SCHEMBL2351034 0.83 HTT (0.44) HTTTHRATHRB
SCHEMBL8408524 0.80 HTT (0.37) HTT
SCHEMBL8408782 0.79 HTT (0.36) HTTTHRATHRB
SCHEMBL8409223 0.79 HTT (0.36) 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