SCHEMBL4658772

SCHEMBL4658772

Cc1cc(Cl)ccc1OCC(=O)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ TSHR P16473 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.47

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
SCHEMBL8584420 0.87 GAA (0.62) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL10897294 0.86 TSHR (0.67) TDP1POLBTSHRHTR2AHTR2C
Rac-Dichlorprop SCHEMBL4658768 0.84 TSHR (0.69) TDP1ESR1POLBESR2CTDSP1
Rac-Dichlorprop SCHEMBL1496084 0.79 TSHR (0.88) POLBTSHRHTR2AHTR2CHTR2B
SCHEMBL10022853 0.78 SMN1; SMN2 (0.66) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL13147651 0.78 SMN1; SMN2 (0.66) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL15797706 0.78 SMN1; SMN2 (0.66) TDP1TSHRHTR2AHTR2CHTR2B
Mcpb SCHEMBL8584416 0.78 TSHR (0.66) POLBTSHRHTR2AHTR2CHTR2B
SCHEMBL9329793 0.77 ESR1 (0.51) TDP1ESR1POLBESR2CTDSP1
SCHEMBL4883831 0.77 TDP1 (0.62) TDP1ESR1POLBESR2CTDSP1

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-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 — — EP claimed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 — — WO claimed
EP-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 — — EP disclosed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 — — WO disclosed
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