SCHEMBL7631089

SCHEMBL7631089

CCCOC(COCCCCCOc1c(C)cc(O)cc1CC)OCCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
GPR84 Q9NQS5 2/20 0.33
USP2 O75604 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
HTT P42858 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
CNR2 P34972 6/20 0.31
CNR1 P21554 5/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL7631817 0.99 THRA (0.33) THRATHRBGPR84USP2S1PR2
SCHEMBL7635349 0.94 THRA (0.37) THRATHRBGPR84CNR2CNR1
SCHEMBL7635648 0.93 THRA (0.35) THRATHRBGPR84CNR2CNR1
SCHEMBL7635710 0.92 GPR84 (0.36) THRATHRBGPR84USP2HTT
SCHEMBL7636825 0.91 THRA (0.33) THRATHRBGPR84S1PR2S1PR1
SCHEMBL7629430 0.91 GPR84 (0.34) THRATHRBGPR84USP2HTT
SCHEMBL7629897 0.90 CYP3A4 (0.32) THRATHRB
SCHEMBL7629203 0.88 THRA (0.34) THRATHRBGPR84S1PR2S1PR1
SCHEMBL7631624 0.86 THRA (0.31) THRATHRB
SCHEMBL7632945 0.86 THRA (0.32) THRATHRBGPR84

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
EP-0888270-B1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2002-04-17 EP disclosed
US-6140274-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed
EP-0888270-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-07 EP disclosed
WO-1997028112-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-07 WO disclosed