SCHEMBL8407288

SCHEMBL8407288

CCc1cc(OCC=C(Cl)Cl)cc(C(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GSR P00390 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GABRB2 P47870 1/20 0.31
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2B6 P20813 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
SCHEMBL8405783 0.88 GABRA1 (0.44) HTTGABRA1GABRB1GSRCA1
SCHEMBL8408126 0.87 HTT (0.45) HTTGABRA1GAAMAPTKDM4E
SCHEMBL8407215 0.86 GSR (0.36) GABRA1GABRB1GSRCA1CA2
SCHEMBL8409056 0.83 HTT (0.38) HTTGABRA1GABRB1GSRCA1
SCHEMBL8407735 0.83 GABRA1 (0.40) HTTGABRA1GABRB1GSRCA1
SCHEMBL8409086 0.82 GSR (0.37) HTTGABRA1GABRB1GSRCA1
SCHEMBL8409112 0.82 GABRA1 (0.39) HTTGABRA1GABRB1GSRCA1
SCHEMBL8408830 0.81 HTT (0.41) HTTTHRATHRBGAAMAPT
SCHEMBL8407828 0.81 HTT (0.41) HTTGAAMAPTKDM4EALDH1A1
SCHEMBL8405655 0.80 HTT (0.40) HTTGAAMAPTKDM4EALDH1A1

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 2 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