SCHEMBL31193425

SCHEMBL31193425

CC(OCCOc1ccc2c(=O)c3cccc(Cl)c3oc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.54
▸ XDH P47989 2/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ BCHE P06276 6/20 0.42
▸ ACHE P22303 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ACSL1 P33121 1/20 0.41
▸ ACSL6 Q9UKU0 1/20 0.41

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
SCHEMBL31193484 0.89 TTR (0.53) TTRXDHCSF1RMAOABCHE
SCHEMBL31193420 0.87 TTR (0.51) TTRXDHCSF1RMAOABCHE
SCHEMBL31193444 0.86 TTR (0.61) TTRMAOAALDH1A1HPGD
SCHEMBL31193467 0.82 TTR (0.57) TTRXDHCSF1RMAOABCHE
SCHEMBL31193359 0.82 TTR (0.54) TTRXDHCSF1RMAOABCHE
SCHEMBL31193434 0.81 TTR (0.62) TTRCSF1RMAOAALDH1A1HPGD
SCHEMBL31193431 0.80 TTR (0.59) TTRCSF1RMAOAALDH1A1HPGD
SCHEMBL31193430 0.78 TTR (0.57) TTRCSF1RMAOAALDH1A1HPGD
SCHEMBL27687212 0.76 TTR (0.62) TTRCSF1RMAOAALDH1A1HPGD
SCHEMBL4512899 0.71 TTR (1.00) TTRMAOAALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118983-A Xanthone compound and intermediate thereof, preparation method, pharmaceutical composition and application 上海药坦药物研究开发有限公司 2024-12-13 — — CN claimed
CN-119118983-A Xanthone compound and intermediate thereof, preparation method, pharmaceutical composition and application 上海药坦药物研究开发有限公司 2024-12-13 — — CN disclosed
Send feedback