SCHEMBL30340423

SCHEMBL30340423

COc1cc(/C(F)=C/c2cccc(-c3cccc(-c4cc(C)c(CO)c(OC)n4)c3Cl)c2C)ccc1CO

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.48
▸ PDCD1LG2 Q9BQ51 18/20 0.48
▸ PDCD1 Q15116 2/20 0.39

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
SCHEMBL21622942 1.00 CD274 (0.48) CD274PDCD1LG2PDCD1
SCHEMBL21623041 0.87 CD274 (0.66) CD274PDCD1LG2PDCD1
SCHEMBL21623395 0.82 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL21622943 0.79 CD274 (0.38) CD274PDCD1LG2PDCD1
SCHEMBL30340393 0.79 CD274 (0.38) CD274PDCD1LG2PDCD1
SCHEMBL30340342 0.79 PDCD1 (0.50) CD274PDCD1
SCHEMBL21623099 0.74 CD274 (0.42) CD274PDCD1
SCHEMBL30340553 0.73 PDCD1 (0.45) CD274PDCD1
SCHEMBL21623441 0.73 PDCD1 (0.45) CD274PDCD1
SCHEMBL30340392 0.72 PDCD1 (0.39) CD274PDCD1

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
CN-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 — — CN disclosed
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