Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL380667

O=C(O)C(F)(F)F.O=C(c1ccc(-c2cc(Cl)c(C[C@@H]3CCN(C4CCNCC4)C3=O)c(Cl)c2)cc1)N1CCOCC1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERN1 O75460 2/20 0.39
HRH3 Q9Y5N1 5/20 0.38
HDAC4 P56524 1/20 0.37
KCNH2 Q12809 2/20 0.37
PKM P14618 1/20 0.37
MET P08581 1/20 0.37
JAK2 O60674 2/20 0.36
PHGDH O43175 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36

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 SCHEMBL381002 0.91 L3MBTL1 (0.39) RAD52UBE2NL3MBTL1HDAC4KCNH2
SCHEMBL14391384 0.88 PARP1 (0.38) L3MBTL1ERN1HRH3PKMJAK2
SCHEMBL209661 0.87 PKM (0.44) ERN1HRH3PKMMETJAK2
SCHEMBL209660 0.87 PKM (0.44) ERN1HRH3PKMMETJAK2
SCHEMBL13072734 0.87 HTR2B (0.37) RAD52UBE2NL3MBTL1KCNH2TPSAB1
Trifluoroacetic Acid SCHEMBL381532 0.86 PRCP (0.38) KCNH2CHRM2CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL381380 0.86 TP53 (0.39) CHRM2CHRM1CHRM3
SCHEMBL207860 0.86 BMPR1B (0.43) L3MBTL1ERN1HRH3PKMPHGDH
SCHEMBL381728 0.85 NPY1R (0.37) RAD52UBE2NL3MBTL1KCNH2MET
SCHEMBL381727 0.85 NPY1R (0.37) RAD52UBE2NL3MBTL1KCNH2MET

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-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed