Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5205925

NCc1cccc(Oc2ccccc2N(Cc2ccc3c(c2)Cc2ccccc2-3)C(=O)CCC(=O)NCc2cccc3ccccc23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
TPSAB1 Q15661 2/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL5203271 0.92 ALDH1A1 (0.34) SSTR5KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5202225 0.92 EPHX2 (0.34) TPSAB1
Trifluoroacetic Acid SCHEMBL5208456 0.91 TSPO (0.40) KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5205308 0.90 TPSAB1 (0.38) PSMB8PSMB5TPSAB1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5201857 0.90 HCRTR2 (0.34) TPSAB1KMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL5205478 0.89 KMT2A (0.33) TPSAB1GCGRGIPRKMT2AMEN1
Trifluoroacetic Acid SCHEMBL5208616 0.89 TSPO (0.38) PSMB8PSMB5TPSAB1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5205606 0.89 TSPO (0.38) PSMB8PSMB5KMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL5207856 0.88 KMT2A (0.37) KMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL5202242 0.86 TPSAB1 (0.37) PSMB8PSMB5TPSAB1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed