SCHEMBL31193467

SCHEMBL31193467

O=C(O)COCCOc1ccc2c(=O)c3cccc(Cl)c3oc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 4/20 0.57
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ACSL1 P33121 2/20 0.45
▸ ACSL6 Q9UKU0 2/20 0.45
▸ XDH P47989 3/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 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
SCHEMBL31193434 0.90 TTR (0.62) TTRAKR1C3AKR1C2AKR1C1KMT2A
SCHEMBL31193359 0.82 TTR (0.54) TTRACSL1ACSL6XDHCSF1R
SCHEMBL31193425 0.82 TTR (0.54) TTRACSL1ACSL6XDHCSF1R
SCHEMBL31193420 0.82 TTR (0.51) TTRXDHCSF1RMAOABCHE
SCHEMBL31193484 0.82 TTR (0.53) TTRXDHCSF1RMAOABCHE
SCHEMBL21801152 0.80 ABCB1 (0.55) XDHMAOABCHE
SCHEMBL21801071 0.79 CSNK2A2 (0.44) TTRKMT2AGAAALDH1A1HPGD
SCHEMBL31193430 0.77 TTR (0.57) TTRKMT2ACSF1RMAOAALDH1A1
SCHEMBL27687212 0.76 TTR (0.62) TTRKMT2AGAACSF1RMAOA
SCHEMBL31193431 0.76 TTR (0.59) TTRKMT2ACSF1RMAOAALDH1A1

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
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