SCHEMBL9616757

SCHEMBL9616757

CCOC1(C(=O)OC)OC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 5/20 0.39
HTT P42858 1/20 0.37
AURKA O14965 1/20 0.37
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
OPRM1 P35372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7145020 0.84 MAPT (0.41) ADORA3TSHRMAPTHTTKMT2A
SCHEMBL14968287 0.76 MAPT (0.41) ADORA3TSHRMAPTHTTAURKA
SCHEMBL7147343 0.74 TSHR (0.39) ADORA3TSHRMAPTKMT2ANPSR1
SCHEMBL9358496 0.74 TSHR (0.39) ADORA3TSHRMAPTKMT2ANPSR1
SCHEMBL14968052 0.73 HTT (0.45) MAPTHTTKMT2ANPSR1ALDH1A1
SCHEMBL14968177 0.71 CYP3A4 (0.51) MAPTHTTKMT2ANPSR1ALDH1A1
SCHEMBL11448271 0.71 TSHR (0.50) ADORA3TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL11435892 0.70 NPSR1 (0.44) ADORA3TSHRMAPTHTTKMT2A
SCHEMBL57714 0.70 TSHR (0.49) ADORA3TSHRMAPTKMT2ANPSR1
SCHEMBL14967143 0.69 TSHR (0.48) ADORA3TSHRKMT2AALDH1A1SMN1; SMN2

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