Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5203361

CC(C)(C)c1ccc(CN(C(=O)CCC(=O)NCc2ccc(F)c(F)c2)c2ccccc2Oc2cccc(CN)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.38
PPARG P37231 5/20 0.37
PPARD Q03181 5/20 0.37
PPARA Q07869 5/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KLKB1 P03952 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HCRTR2 O43614 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35

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 SCHEMBL5205473 0.95 TPSAB1 (0.39) TPSAB1ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5205240 0.93 MAPK14 (0.39) TPSAB1PPARGPPARDPPARAALDH1A1
Trifluoroacetic Acid SCHEMBL5202835 0.92 TPSAB1 (0.36) TPSAB1PPARGPPARDPPARAALDH1A1
Trifluoroacetic Acid SCHEMBL5203166 0.92 ALDH1A1 (0.39) TPSAB1PPARGPPARDPPARAALDH1A1
Trifluoroacetic Acid SCHEMBL5206020 0.91 ALDH1A1 (0.43) TPSAB1ALDH1A1HDAC6KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5208564 0.90 TPSAB1 (0.37) TPSAB1ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5204380 0.90 EPHX2 (0.38) TPSAB1PPARGPPARDPPARAALDH1A1
Trifluoroacetic Acid SCHEMBL5204751 0.90 TPSAB1 (0.35) TPSAB1ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5208391 0.90 HCRTR2 (0.39) ALDH1A1LMNAPOLBHTTNPSR1
Trifluoroacetic Acid SCHEMBL5202242 0.90 TPSAB1 (0.37) TPSAB1PPARGPPARDPPARALMNA

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