SCHEMBL9714152

SCHEMBL9714152

O=C(O)CCOc1ccc2cc(O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.53
MCL1 Q07820 1/20 0.50
ALB P02768 1/20 0.49
PTPN7 P35236 1/20 0.49
HCAR2 Q8TDS4 1/20 0.48
MMP2 P08253 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDK2 Q15119 1/20 0.44
HDAC1 Q13547 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PDE2A O00408 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL9750796 0.97 L3MBTL1 (0.51) L3MBTL1TSHRMCL1ALBPTPN7
SCHEMBL2597631 0.84 PTPN7 (0.69) L3MBTL1TSHRPTPN7ALDH1A1KDM4E
SCHEMBL2468006 0.83 L3MBTL1 (0.69) L3MBTL1TSHRALBMMP2PPARA
SCHEMBL9559951 0.83 CYP1A2 (0.62) L3MBTL1TSHRMCL1ALDH1A1KDM4E
SCHEMBL9714119 0.82 PTPN7 (0.71) TSHRMCL1PTPN7HCAR2ALDH1A1
SCHEMBL19168859 0.81 CHRNB2 (0.56) L3MBTL1TSHRMCL1CYSLTR2CYSLTR1
SCHEMBL5968640 0.81 L3MBTL1 (0.45) L3MBTL1TSHRMCL1ALBMMP2
SCHEMBL9750825 0.79 PTPN7 (0.72) TSHRMCL1PTPN7HCAR2KDM4E
SCHEMBL30736522 0.79 L3MBTL1 (0.50) L3MBTL1TSHRMCL1ALBMMP2
SCHEMBL6393948 0.78 L3MBTL1 (0.49) L3MBTL1TSHRMCL1ALBMMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079384-A Weed killers, destroy broad leaf plants, postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed