SCHEMBL9839367

SCHEMBL9839367

COC(=O)C(C)Oc1ccc(OC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
ELANE P08246 3/20 0.49
ALDH2 P05091 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
HSP90AA1 P07900 1/20 0.46
POLB P06746 2/20 0.46
PKM P14618 2/20 0.46
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4250581 0.89 KMT2A (0.58) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL16728392 0.83 TAS1R3 (0.65) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL11402555 0.83 TAS1R3 (0.65) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL9063033 0.83 CYP1A2 (0.59) MAPTMEN1KMT2AL3MBTL1ALDH2
SCHEMBL5789486 0.83 LMNA (0.58) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL5789487 0.83 LMNA (0.58) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL1931522 0.83 ALDH1A1 (0.47) MAPTMEN1KMT2AL3MBTL1ELANE
SCHEMBL9480121 0.82 KMT2A (0.54) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL8431462 0.81 KMT2A (0.52) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL14122122 0.81 KMT2A (0.66) MAPTMEN1KMT2AL3MBTL1LMNA

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
US-5008439-A Synthesis of 2-(4-hydroxyphenoxy) alkanoic acid esters HOECHST CELANESE CORPORATION (US) 1991-04-16 US claimed
EP-0334596-A2 Synthesis of 2-(4-hydroxyphenoxy)alkanoic acid esters HOECHST CELANESE CORPORATION (US) 1989-09-27 EP claimed
US-5008439-A Synthesis of 2-(4-hydroxyphenoxy) alkanoic acid esters HOECHST CELANESE CORPORATION (US) 1991-04-16 US disclosed
EP-0334596-A2 Synthesis of 2-(4-hydroxyphenoxy)alkanoic acid esters HOECHST CELANESE CORPORATION (US) 1989-09-27 EP disclosed