Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15310517

COC(=O)[C@@H](N)CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)c1.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.74
CCR5 P51681 1/20 0.70
FFAR4 Q5NUL3 1/20 0.70
SLCO1B1 Q9Y6L6 1/20 0.70

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
SCHEMBL10278748 0.95 CCR4 (0.81) CCR4CCR5FFAR4SLCO1B1
Trifluoroacetic Acid SCHEMBL15310420 0.95 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
Trifluoroacetic Acid SCHEMBL367360 0.94 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10279004 0.92 CCR4 (0.81) CCR4CCR5FFAR4SLCO1B1
SCHEMBL13186828 0.91 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10235247 0.91 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
Trifluoroacetic Acid SCHEMBL186603 0.91 CCR4 (0.80) CCR4CCR5FFAR4SLCO1B1
Trifluoroacetic Acid SCHEMBL357550 0.90 CCR4 (0.79) CCR4CCR5FFAR4SLCO1B1
Trifluoroacetic Acid SCHEMBL185871 0.90 CCR4 (0.80) CCR4CCR5FFAR4SLCO1B1
Trifluoroacetic Acid SCHEMBL186990 0.90 CCR4 (0.80) CCR4CCR5FFAR4SLCO1B1

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-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP claimed