SCHEMBL27892175

SCHEMBL27892175

CCCCC(COC(=O)C(F)(F)F)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
PDF Q9HBH1 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ATM Q13315 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 4/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33

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
SCHEMBL22160006 0.95 CA2 (0.47) CA2CA1SLC1A2SLC1A1FAAH
SCHEMBL28092086 0.94 CA2 (0.46) CA2CA1SLC1A2SLC1A1FAAH
SCHEMBL14577150 0.77 CYP3A4 (0.60) CA2CA1MAPK1ATMTSHR
SCHEMBL27860089 0.75 S1PR2 (0.40) FAAHCES2CES1
SCHEMBL27999608 0.75 CA1 (0.38) CA2CA1PDFSLC1A3SLC1A2
SCHEMBL6628807 0.75 CA2 (0.50) CA2CA1MAPK1ATML3MBTL1
SCHEMBL29272676 0.75 CA2 (0.50) CA2CA1PDFMAPK1SLC1A3
SCHEMBL4631068 0.75 CA2 (0.59) CA2CA1MAPK1ATMTSHR
SCHEMBL22230486 0.74 S1PR2 (0.42) FAAHCES2CES1
SCHEMBL2369450 0.74 CA2 (0.82) CA2CA1MAPK1SLC1A3SLC1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102946726-B Novel blood sugar lowing compound CADILA PHARMACEUTICALS LTD. (IN) 2015-08-19 CN disclosed
CN-102946726-A Novel hypoglycemic compounds CADILA PHARMACEUTICALS LTD 2013-02-27 CN disclosed