SCHEMBL13316539

SCHEMBL13316539

CCCC(COC)NC(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.46
TAS1R1 Q7RTX1 16/20 0.46
PLA2G2C Q5R387 2/20 0.38
PLA2G2A P14555 1/20 0.34
TAS1R2 Q8TE23 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
SCHEMBL13316540 0.86 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL13316545 0.85 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2
SCHEMBL13316547 0.81 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL22996406 0.81 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL22996407 0.81 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL12820064 0.81 PLA2G2C (0.56) TAS1R3TAS1R1PLA2G2CPLA2G2A
SCHEMBL13316564 0.81 MAPK1 (0.35) TAS1R3TAS1R1
SCHEMBL8366815 0.80 TAS1R3 (0.44) TAS1R3TAS1R1
SCHEMBL24525252 0.79 ANPEP (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL13316556 0.79 DNM1 (0.33) TAS1R3TAS1R1TAS1R2

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
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed