SCHEMBL7636825

SCHEMBL7636825

CCOC(COCCCCCOc1c(C)cc(O)cc1CC)OCC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL7629897 0.99 CYP3A4 (0.32) THRATHRBCYP3A4SMN1; SMN2TDP1
SCHEMBL7627690 0.92 GPR84 (0.34) THRATHRBGPR84CNR1CNR2
SCHEMBL7631089 0.91 THRA (0.35) THRATHRBGPR84CNR1CNR2
SCHEMBL6548354 0.91 GPR84 (0.32) GPR84CNR1CNR2
SCHEMBL7635349 0.90 THRA (0.37) THRATHRBGPR84CNR1CNR2
SCHEMBL7631817 0.90 THRA (0.33) THRATHRBGPR84S1PR2S1PR1
SCHEMBL7635648 0.89 THRA (0.35) THRATHRBGPR84CNR1CNR2
SCHEMBL7629203 0.89 THRA (0.34) THRATHRBGPR84S1PR2S1PR1
SCHEMBL7635355 0.88 SMN1; SMN2 (0.31) THRATHRBCYP3A4SMN1; SMN2TDP1
SCHEMBL7631624 0.87 THRA (0.31) 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 2 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