SCHEMBL9616758

SCHEMBL9616758

CCOC1OC1(C(=O)OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 6/20 0.37
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL7145021 0.84 HTT (0.47) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL873571 0.79 HTT (0.45) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL14968177 0.74 CYP3A4 (0.51) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL57715 0.74 OPRM1 (0.49) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL4024963 0.71 KLK7 (0.37) CYP3A4OPRM1
SCHEMBL9358501 0.71 HTT (0.39) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL16110034 0.70 CYP3A4 (0.44) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL9511995 0.69 ALDH1A1 (0.41) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL14967770 0.69 CYP3A4 (0.44) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL14967798 0.68 TSHR (0.47) HTTMEN1KMT2AOPRM1OPRD1

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