SCHEMBL31353004

SCHEMBL31353004

CCCC(=O)N[C@H]1C(O)O[C@H](COC(=O)CCC2CCCC2)[C@@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PYGB P11216 1/20 0.38
▸ TDP1 Q9NUW8 5/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ KLK7 P49862 4/20 0.37
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL21137953 0.87 PYGB (0.45) MAPTPYGBL3MBTL1
SCHEMBL21138039 0.87 PYGB (0.45) MAPTPYGBL3MBTL1
SCHEMBL21138044 0.84 PYGB (0.48) PYGBL3MBTL1GAA
SCHEMBL23104873 0.84 PYGB (0.48) PYGBL3MBTL1GAA
SCHEMBL21137986 0.83 PYGB (0.41) ALDH1A1PYGBL3MBTL1
SCHEMBL21137910 0.82 TLR4 (0.44) PYGB
SCHEMBL31353005 0.82 TLR4 (0.44) PYGB
SCHEMBL25835076 0.81 PYGB (0.40) MEN1KMT2AATMPYGBTDP1
SCHEMBL21137960 0.81 PYGB (0.40) PYGBL3MBTL1
SCHEMBL21138114 0.81 PYGB (0.40) MAPTPYGBL3MBTL1

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-2025000280-A1 COMPOUND FOR PREVENTING OR TREATING CANINE BONE OR JOINT DISEASES, COMPOSITION, AND USE 润佳(苏州)医药科技有限公司 2025-01-02 — — WO disclosed
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