SCHEMBL13213376

SCHEMBL13213376

Cc1cc(-c2cccc(CN=O)c2C)c(C)cc1OCCC(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.36
▸ CD274 Q9NZQ7 9/20 0.32
▸ RARB P10826 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLCO1B3 Q9NPD5 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CISD1 Q9NZ45 1/20 0.32
▸ SLCO1B1 Q9Y6L6 1/20 0.32
▸ PDCD1 Q15116 3/20 0.32
▸ MAPT P10636 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
SCHEMBL13117512 0.86 VDR (0.44) VDRCD274RARBTTRCYP1A2
SCHEMBL13213353 0.85 VDR (0.34) VDRCD274PDCD1
SCHEMBL13140331 0.83 VDR (0.42) VDRCD274RARBTTRCYP1A2
SCHEMBL13117715 0.79 CD274 (0.40) CD274PDCD1RAB9A
SCHEMBL13117432 0.78 MAPT (0.41) VDRCD274TTRCYP1A2CYP2C8
SCHEMBL13139845 0.72 CD274 (0.50) CD274RARBPDCD1
SCHEMBL2907674 0.71 FFAR1 (0.52) CD274
SCHEMBL13117528 0.70 CD274 (0.44) VDRCD274PDCD1
SCHEMBL12577844 0.70 CD274 (0.41) VDRCD274PDCD1
SCHEMBL12004138 0.70 CD274 (0.39) VDRCD274PDCD1

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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