Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208616

NCc1cccc(Oc2ccccc2N(Cc2ccc(Oc3ccccc3)cc2)C(=O)CCC(=O)NCc2cccc3ccccc23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.38
TPSAB1 Q15661 2/20 0.37
NR3C1 P04150 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 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 SCHEMBL5205308 0.97 TPSAB1 (0.38) TSPOTPSAB1MEN1KMT2APSMB8
Trifluoroacetic Acid SCHEMBL5205606 0.94 TSPO (0.38) TSPOMEN1KMT2APSMB8PSMB5
Trifluoroacetic Acid SCHEMBL5202242 0.93 TPSAB1 (0.37) TSPOTPSAB1MEN1KMT2APSMB8
Trifluoroacetic Acid SCHEMBL5208348 0.92 RAB9A (0.37) TPSAB1MEN1KMT2APSMB8PSMB5
Trifluoroacetic Acid SCHEMBL5202054 0.92 TSPO (0.39) TSPOTPSAB1NR3C1SUCNR1
Trifluoroacetic Acid SCHEMBL5203534 0.92 KMT2A (0.37) TPSAB1MEN1KMT2APSMB8PSMB5
Trifluoroacetic Acid SCHEMBL5204913 0.91 SUCNR1 (0.39) TSPOTPSAB1MEN1KMT2ASUCNR1
Trifluoroacetic Acid SCHEMBL5205760 0.91 ALDH1A1 (0.39) TSPOTPSAB1NR3C1CACNA1HCACNA1B
Trifluoroacetic Acid SCHEMBL5206005 0.90 TSPO (0.47) TSPONR3C1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5201616 0.90 TSPO (0.39) TSPOMEN1KMT2APSMB8PSMB5

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