SCHEMBL5907682

SCHEMBL5907682

CCCCC(C)NC(=O)CC(C)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.41
FAAH O00519 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR2 P34972 1/20 0.39
HDAC2 Q92769 1/20 0.38
MLYCD O95822 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SLC15A1 P46059 1/20 0.37
PLA2G2C Q5R387 1/20 0.37

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
SCHEMBL5907643 0.88 POLB (0.54) TAS1R3TAS1R1POLBKMT2AFAAH
SCHEMBL15961732 0.82 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2POLBKMT2A
SCHEMBL27646624 0.80 GPR84 (0.58) KMT2AFAAHMEN1MAPK1
SCHEMBL29148042 0.80 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2POLBKMT2A
SCHEMBL5907648 0.79 MMP1 (0.47) KMT2AMEN1MAPK1
SCHEMBL23634768 0.78 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2POLBKMT2A
SCHEMBL8436643 0.78 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2POLBKMT2A
SCHEMBL14370371 0.78 FAAH (0.48) TAS1R3TAS1R1TAS1R2POLBKMT2A
SCHEMBL5284893 0.77 FAAH (0.69) KMT2AFAAHMEN1MAPK1CNR2
SCHEMBL15444589 0.76 FAAH (0.47) TAS1R3TAS1R1TAS1R2POLBKMT2A

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-20060046286-A1 Method for preparing optically active beta-butyrolactones TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 US disclosed