SCHEMBL7772671

SCHEMBL7772671

O=C(CC(NC(=O)C(F)(F)F)C(=O)O)NO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.43
CA2 P00918 2/20 0.41
FOLH1 Q04609 2/20 0.39
CA4 P22748 1/20 0.36
ACE P12821 4/20 0.34
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
RIMKLA Q8IXN7 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
BMP1 P13497 1/20 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
SCHEMBL20886594 0.84 CA2 (0.35) ECE1CA2FOLH1CA4ACE
SCHEMBL5611391 0.82 CA2 (0.47) CA2FOLH1CA4RIMKLANAALAD2
SCHEMBL7832189 0.82 CA2 (0.47) CA2FOLH1CA4RIMKLANAALAD2
SCHEMBL473070 0.82 CA2 (0.47) CA2FOLH1CA4RIMKLANAALAD2
SCHEMBL6620751 0.79 ITGB2 (0.47) ECE1CA2FOLH1
SCHEMBL6620753 0.79 ITGB2 (0.47) ECE1CA2FOLH1
SCHEMBL19463542 0.79 ITGB2 (0.47) ECE1CA2FOLH1
SCHEMBL4216202 0.78 CA2 (0.33) ECE1CA2CA4ACE
SCHEMBL7133053 0.76 TGFBR1 (0.50) CA2FOLH1RIMKLANAALAD2
SCHEMBL7133055 0.76 TGFBR1 (0.50) CA2FOLH1RIMKLANAALAD2

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
EP-0854860-B1 A NEW FAMILY OF COMPOUNDS HAVING ANTI-INFLAMMATORY AND ANTI-VIRAL ACTIVITY AND COMPOSITIONS OF THESE, ALONE AND IN COMBINATION WITH REVERSE TRANSCRIPTASE INHIBITORS, FOR INHIBITING, PREVENTING OR ELIMINATING VIRAL REPLICATION AND METHODS OF USING SAME CIE DE DEV AGUETTANT (FR) 2001-07-25 EP claimed