SCHEMBL13213353

SCHEMBL13213353

Cc1c(CN=O)cccc1-c1ccc(OCCC(C)(C)O)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.34
▸ CD274 Q9NZQ7 4/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL13213376 0.85 VDR (0.36) VDRCD274PDCD1
SCHEMBL13117528 0.85 CD274 (0.44) VDRCD274PDCD1IDO1
SCHEMBL13117714 0.77 CD274 (0.39) CD274PDCD1
SCHEMBL13213459 0.73 TDP1 (0.36) CD274PDCD1
SCHEMBL13117512 0.70 VDR (0.44) VDRCD274PDCD1
SCHEMBL13139660 0.70 CD274 (0.54) CD274PDCD1IDO1
SCHEMBL13117737 0.70 CD274 (0.41) CD274PDCD1
SCHEMBL2912862 0.69 FFAR1 (0.50) CD274PDCD1
SCHEMBL9964446 0.69 CD274 (0.40) VDRCD274PDCD1
SCHEMBL13213383 0.69 CD274 (0.36) 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
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 — — EP disclosed
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