SCHEMBL2909678

SCHEMBL2909678

Cc1cc(OCCCNC(=O)O)cc(C)c1-c1cccc(COc2ccc(C=O)cc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.49
▸ CD274 Q9NZQ7 18/20 0.48
▸ PDCD1 Q15116 6/20 0.42
▸ MCL1 Q07820 1/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL13117384 0.89 CA12 (0.45) FFAR1CD274MCL1
SCHEMBL13139653 0.89 CD274 (0.46) FFAR1CD274PDCD1
SCHEMBL12578389 0.87 FFAR1 (0.48) FFAR1CD274
SCHEMBL13117681 0.86 CA12 (0.44) FFAR1CD274PDCD1MCL1
SCHEMBL12578352 0.84 FFAR1 (0.51) FFAR1CD274PDCD1
SCHEMBL3514126 0.83 FFAR1 (0.46) FFAR1CD274PDCD1MCL1HDAC6
SCHEMBL12578384 0.82 FFAR1 (0.46) FFAR1CD274
SCHEMBL12578387 0.82 FFAR1 (0.46) FFAR1CD274
SCHEMBL12578350 0.82 FFAR1 (0.46) FFAR1CD274
SCHEMBL2912263 0.82 FFAR1 (0.54) FFAR1CD274

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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