Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7428691

NCc1cccc(N(CC(=O)O)C(=O)c2ccccc2)c1.O=C(NCc1ccccc1)c1ccc2c(c1)NCC2.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
HTR2C P28335 1/20 0.41
LOX P28300 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.36
ACHE P22303 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HASPIN Q8TF76 1/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
NAMPT P43490 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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 SCHEMBL7423644 0.90 ACHE (0.39) ACHEKDM1A
Trifluoroacetic Acid SCHEMBL7422801 0.90 ACHE (0.35) CFDHTR2CNPC1RAB9AACHE
Trifluoroacetic Acid SCHEMBL5210906 0.86 ACHE (0.39) ACHEHDAC8HDAC6KDM1AKLKB1
Trifluoroacetic Acid SCHEMBL6486974 0.85 ACHE (0.38) KDM4EACHEMAPTKLKB1
Trifluoroacetic Acid SCHEMBL5212837 0.85 ACHE (0.36) CFDHTR2CACHEHDAC8HDAC6
SCHEMBL7431168 0.84 ACHE (0.38) CFDNPC1RAB9AACHEHASPIN
Trifluoroacetic Acid SCHEMBL5213057 0.83 ACHE (0.34) HTR2CACHEHDAC8HDAC6NAMPT
Trifluoroacetic Acid SCHEMBL5212873 0.83 ACHE (0.34) HTR2CACHEHDAC8HDAC6NAMPT
Trifluoroacetic Acid SCHEMBL7431702 0.82 NAMPT (0.34) HTR2CACHEHDAC8HDAC6NAMPT
SCHEMBL7428225 0.82 ACHE (0.34) CFDNPC1RAB9AACHENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed