SCHEMBL28524604

SCHEMBL28524604

O=C(O)C(=O)OCCO.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL28527508 1.00 TSHR (0.42) TSHRACHEMAPK1MEN1KMT2A
SCHEMBL468034 0.97
SCHEMBL28924977 0.94 TSHR (0.42) TSHRACHEMAPK1MEN1KMT2A
SCHEMBL28256153 0.94 TSHR (0.42) TSHRACHEMAPK1MEN1KMT2A
Hydrazine SCHEMBL27287371 0.92 TSHR (0.41) TSHRACHEMAPK1MEN1KMT2A
SCHEMBL28255090 0.90 TSHR (0.39) TSHRACHEMAPK1
SCHEMBL27624206 0.85 TSHR (0.48) TSHRACHEMAPK1MEN1KMT2A
SCHEMBL28144571 0.82 MEN1 (0.52) TSHRMAPK1MEN1KMT2A
SCHEMBL28140969 0.82 MEN1 (0.52) TSHRMAPK1MEN1KMT2A
SCHEMBL468011 0.82 TSHR (0.50) TSHRACHEMAPK1MEN1KMT2A

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
CN-112263542-A Desonide nanoemulsion gel composition and preparation method thereof 澳美制药厂有限公司 2021-01-26 CN disclosed