SCHEMBL7629897

SCHEMBL7629897

CCOC(COCCCCOc1c(C)cc(O)cc1CC)OCC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 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
SCHEMBL7636825 0.99 THRA (0.33) CYP3A4SMN1; SMN2TDP1THRATHRB
SCHEMBL6548354 0.92 GPR84 (0.32)
SCHEMBL7631817 0.91 THRA (0.33) THRATHRB
SCHEMBL7627690 0.91 GPR84 (0.34) THRATHRB
SCHEMBL7631089 0.90 THRA (0.35) THRATHRB
SCHEMBL7635648 0.90 THRA (0.35) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL7635349 0.89 THRA (0.37) THRATHRB
SCHEMBL7635355 0.89 SMN1; SMN2 (0.31) CYP3A4SMN1; SMN2TDP1THRATHRB
SCHEMBL7632945 0.88 THRA (0.32) CYP3A4SMN1; SMN2TDP1THRATHRB
SCHEMBL7629203 0.87 THRA (0.34) THRATHRBKDM4EMEN1ALDH1A1

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