SCHEMBL8726475

SCHEMBL8726475

O=C(O)C(Cc1ccc(F)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.63
ALDH1A1 P00352 1/20 0.58
NPSR1 Q6W5P4 1/20 0.54
CA2 P00918 1/20 0.53
MME P08473 4/20 0.52
ACE2 Q9BYF1 2/20 0.52
GPR34 Q9UPC5 2/20 0.50
FOLH1 Q04609 1/20 0.48
POLB P06746 1/20 0.48
CPA1 P15085 1/20 0.46
FPR2 P25090 1/20 0.46
ECE1 P42892 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL908205 1.00 ACE (0.63) ACEALDH1A1NPSR1CA2MME
SCHEMBL908204 1.00 ACE (0.63) ACEALDH1A1NPSR1CA2MME
SCHEMBL18228990 0.88 ACE (0.52) ACEALDH1A1NPSR1CA2MME
SCHEMBL11459401 0.88 ACE (0.63) ACENPSR1CA2MMEACE2
SCHEMBL11459400 0.88 ACE (0.63) ACENPSR1CA2MMEACE2
SCHEMBL5180354 0.87 NPSR1 (0.69) ACEALDH1A1NPSR1MMEACE2
SCHEMBL8613833 0.87 NPSR1 (0.69) ACEALDH1A1NPSR1MMEACE2
SCHEMBL5180357 0.87 NPSR1 (0.69) ACEALDH1A1NPSR1MMEACE2
SCHEMBL1324487 0.86 FPR2 (0.55) ACEALDH1A1NPSR1MMEACE2
SCHEMBL1324491 0.86 FPR2 (0.55) ACEALDH1A1NPSR1MMEACE2

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-5739121-A CYCLIC OLIGOSACCHARIDES HAVING MONOMERS IN PYRANOSIDE FORM, COMPRISING AT LEAST TWO FLUORINE ATOMS ATTACHED TO CYCLIC OLIGOSACCHARIDE OR SUBSTITUENT UNIVERSITY OF ALBERTA (CA) 1998-04-14 US disclosed