SCHEMBL24943581

SCHEMBL24943581

CCC(=O)NC1C(O)[C@H](O)C(CO)O[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.64
▸ GAA P10253 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HK2 P52789 5/20 0.50
▸ HK1 P19367 4/20 0.50
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ OGA O60502 1/20 0.44

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
SCHEMBL19477925 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL15334409 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL29906478 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL28790741 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL18193284 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL15334407 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL29574842 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL15046974 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL17215084 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6
SCHEMBL18021043 1.00 PYGB (0.64) PYGBGAAKDM4ELMNACYP2D6

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-2023006909-A1 FUNCTIONALISATION OF CARBOXYMETHYLCELLULOSE THE UNIVERSITY OF MANCHESTER (GB) 2023-02-02 — — WO disclosed
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