SCHEMBL21344292

SCHEMBL21344292

COC(CO)COC(=O)NCC=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL9534277 0.77 SMN1; SMN2 (0.49) CYP2C9TSHR
SCHEMBL19390730 0.77 ACHE (0.45) —
SCHEMBL12412473 0.73 ACHE (0.41) —
SCHEMBL9694130 0.73 EPHX1 (0.57) —
SCHEMBL9575985 0.73 EPHX1 (0.57) —
SCHEMBL9693941 0.73 EPHX1 (0.57) —
SCHEMBL9575983 0.73 EPHX1 (0.57) —
SCHEMBL10900276 0.73 EPHX1 (0.57) —
SCHEMBL10910652 0.73 EPHX1 (0.57) —
SCHEMBL9863527 0.73 EPHX1 (0.57) —

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
WO-2019172286-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA 第一三共株式会社 2019-09-12 — — WO disclosed
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