Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5209741

CCOC(=O)c1c(C(N)=O)sc2c1CCCC2.Cc1cccc(N(CC(=O)O)C(=O)c2cccc(CN)c2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.37
GAA P10253 4/20 0.37
CNR2 P34972 4/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
PTGER2 P43116 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR2 O60603 4/20 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 SCHEMBL5211197 0.93 FLT3 (0.36) MAPTALDH1A1GAATP53NPSR1
Trifluoroacetic Acid SCHEMBL5207793 0.90 PDE4D (0.40) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5207834 0.90 PDE4D (0.41) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL4809946 0.90 PDE4D (0.36) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5211226 0.89 PDE4D (0.37) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5205966 0.87 PDE4D (0.39) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5208796 0.86 SMN1; SMN2 (0.35) MAPTALDH1A1GAAADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL5208294 0.86 MEN1 (0.31) NPSR1
Trifluoroacetic Acid SCHEMBL5209196 0.86 IKBKB (0.33) GAANPSR1
Trifluoroacetic Acid SCHEMBL5280152 0.83 ALDH1A1 (0.40) MAPTALDH1A1CNR2TP53KDM4E

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-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed