SCHEMBL13213459

SCHEMBL13213459

CC(=O)OCCOc1cccc(-c2cccc(CN=O)c2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ PDCD1 Q15116 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL13117632 0.86 PDCD1 (0.45) TDP1THRBPDCD1CD274ALDH1A1
SCHEMBL13117620 0.77 ALDH1A1 (0.47) TDP1THRBPDCD1CD274ALDH1A1
SCHEMBL13117746 0.76 FFAR1 (0.43) PDCD1CD274ALDH1A1PPARGPPARD
SCHEMBL13117445 0.76 KDM4E (0.46) TDP1THRBPDCD1CD274ALDH1A1
SCHEMBL13213353 0.73 VDR (0.34) PDCD1CD274
SCHEMBL10030191 0.71 TDP1 (0.55) TDP1THRBALDH1A1LMNASMN1; SMN2
SCHEMBL2907137 0.71 CD274 (0.38) PDCD1CD274C5AR1
SCHEMBL17459123 0.70 L3MBTL1 (0.64) TDP1THRBALDH1A1LMNASMN1; SMN2
SCHEMBL13117624 0.70 CD274 (0.40) PDCD1CD274FFAR1RAD52
SCHEMBL5694355 0.69 TDP1 (0.56) TDP1THRBALDH1A1LMNASMN1; SMN2

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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