SCHEMBL21622950

SCHEMBL21622950

COC(=O)c1ccc(/C(F)=C/c2cccc(-c3cccc(CO)c3C)c2C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 16/20 0.39
▸ PDCD1 Q15116 15/20 0.39
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 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
SCHEMBL30340562 1.00 CD274 (0.39) CD274PDCD1KDM4EALDH1A1GAA
SCHEMBL28472792 0.92 CD274 (0.43) CD274PDCD1ALDH1A1CTNNB1WNT3A
SCHEMBL28472791 0.92 CD274 (0.43) CD274PDCD1ALDH1A1CTNNB1WNT3A
SCHEMBL30340576 0.88 ALDH1A1 (0.42) CD274PDCD1KDM4EALDH1A1GAA
SCHEMBL21622951 0.88 ALDH1A1 (0.42) CD274PDCD1KDM4EALDH1A1GAA
SCHEMBL21623091 0.80 PDCD1 (0.37) CD274PDCD1ALDH1A1
SCHEMBL21616727 0.79 CD274 (0.43) CD274PDCD1KDM4EALDH1A1HPGD
SCHEMBL21616729 0.79 CD274 (0.43) CD274PDCD1KDM4EALDH1A1HPGD
SCHEMBL30340342 0.79 PDCD1 (0.50) CD274PDCD1
SCHEMBL21623099 0.77 CD274 (0.42) 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
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — WO disclosed
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