SCHEMBL6769407

SCHEMBL6769407

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.51
ACE P12821 7/20 0.50
SLC7A5 Q01650 1/20 0.49
MME P08473 7/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALB P02768 1/20 0.43
IL2 P60568 1/20 0.43

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
SCHEMBL6770152 0.87 MME (0.55) FOLH1NAALAD2ACEMMEL3MBTL1
SCHEMBL9847998 0.87 FOLH1 (0.54) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL9847993 0.87 FOLH1 (0.54) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL246178 0.84 FOLH1 (0.58) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL4101776 0.84 FOLH1 (0.58) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL3983123 0.81 FOLH1 (0.59) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL3983134 0.81 FOLH1 (0.59) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL27973852 0.81 ACE (0.54) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL12869808 0.80 FOLH1 (0.61) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL5738141 0.80 FOLH1 (0.61) FOLH1NAALAD2ACESLC7A5MME

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-6794492-B2 N-(2,2,2-TRIFLUOROETHYL)GLYCINE DERIVATIVES; CAN BE USED TO PREPARE LIPOPHILIC PROTEINS ADAPTED FOR CROSSING THE BLOOD BRAIN BARRIER CLEMSON UNIVERSITY 2004-09-21 US claimed