SCHEMBL25576480

SCHEMBL25576480

COC(=O)C1(O)C[C@@H](O)C(NC(C)=O)C(CC(O)CO)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAG P20916 5/20 0.33
▸ ASGR1 P07306 1/20 0.32
▸ CD69 Q07108 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL27391404 1.00 NANP (0.41) NANPL3MBTL1ALDH1A1THRBMAG
SCHEMBL24246810 1.00 NANP (0.41) NANPL3MBTL1ALDH1A1THRBMAG
SCHEMBL17117576 0.88 NANP (0.52) NANPL3MBTL1ALDH1A1THRBMAG
SCHEMBL27391399 0.88 NANP (0.52) NANPL3MBTL1ALDH1A1THRBMAG
SCHEMBL15746561 0.88 NANP (0.52) NANPL3MBTL1ALDH1A1THRBMAG
SCHEMBL16135482 0.88 NANP (0.52) NANPL3MBTL1ALDH1A1THRBMAG
SCHEMBL12112837 0.86 NANP (0.41) NANPALDH1A1THRBMAGASGR1
SCHEMBL14671979 0.81 NANP (0.34) NANP
SCHEMBL15951566 0.81 NANP (0.34) NANP
SCHEMBL18410846 0.81 NANP (0.54) NANPMAG

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-2023102364-A1 ANTIVIRAL COMPOUNDS, COMPOSITIONS AND USES THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2023-06-08 — — WO disclosed
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