SCHEMBL9616713

SCHEMBL9616713

CCCCOC(=O)C1OC1c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL29199108 0.86 TSHR (0.61) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL10894837 0.80 ALDH1A1 (0.43) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL7902152 0.80 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL7138835 0.80 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL7138831 0.80 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL9092954 0.79 TSHR (0.72) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL14967822 0.77 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL14967506 0.76 TSHR (0.52) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL9690184 0.75 FABP3 (0.46) TSHRTDP1ALDH1A1SMN1; SMN2ALOX15
SCHEMBL14967725 0.75 TSHR (0.70) TSHRTDP1L3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440723-A4 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS 1992-05-20 EP disclosed
EP-0440723-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS. SEPRACOR INC (US) 1991-08-14 EP disclosed
WO-1990004643-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS SEPRACOR, INC. (US) 1990-05-03 WO disclosed