Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7376343

O=C(O)C(F)(F)F.O=C(O)CN1CCC(C(=O)Nc2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 3/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
RAD52 P43351 2/20 0.43
MALT1 Q9UDY8 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABL1 P00519 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
DEGS1 O15121 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL7371765 0.94 ME3 (0.54) ME3ALDH1A1MAPK1MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7411758 0.87 ABL1 (0.45) ME3MAPK1MAPTKDM4EABL1
Trifluoroacetic Acid SCHEMBL7522281 0.85 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AMALT1
SCHEMBL7376347 0.85 ALDH1A1 (0.43) ME3ALDH1A1MAPK1MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7379635 0.84 TRPV1 (0.45) MAPK1MAPTMEN1KMT2AABL1
Trifluoroacetic Acid SCHEMBL7376456 0.83 GLA (0.48) ME3ALDH1A1MAPTPOLB
SCHEMBL7371906 0.83 ALDH1A1 (0.46) ME3ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL8141352 0.83 ME3 (0.52) ME3ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL8143555 0.82 ALDH1A1 (0.48) ME3ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL8135054 0.81 LMNA (0.49) ME3ALDH1A1MAPK1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed