SCHEMBL31353010

SCHEMBL31353010

CCCC(=O)N[C@H]1C(O)O[C@H](COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.40
▸ CTSK P43235 3/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ PYGB P11216 1/20 0.33
▸ MAP1LC3B Q9GZQ8 1/20 0.33
▸ MAP1LC3A Q9H492 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL25957442 0.91 CTSK (0.36) CAPN1CTSKCTSSPYGBCYP1A2
SCHEMBL21058397 0.87 CTSK (0.35) CTSKCTSLCTSBCTSSPYGB
SCHEMBL21137891 0.87 CTSK (0.35) CTSKCTSLCTSBCTSSPYGB
SCHEMBL21058353 0.84 ACE (0.48) CTSKCTSLCTSBCTSSMAPK1
SCHEMBL21137896 0.81 SDCBP (0.32) CTSKCTSSPYGB
SCHEMBL21138668 0.81 ITGB3 (0.38) CTSKCTSLCTSBCTSS
SCHEMBL21058382 0.81 ITGB3 (0.38) CTSKCTSLCTSBCTSS
Hydrochloric Acid SCHEMBL31353001 0.79 PYGB (0.38) PYGBCYP2C19L3MBTL1MAPK1TLR4
SCHEMBL31352995 0.79 SSTR3 (0.46) —
Hydrochloric Acid SCHEMBL31353002 0.77 PYGB (0.41) PYGBCYP2C19L3MBTL1MAPK1TLR4

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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