Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5207793

CCOC(=O)c1c(C(N)=O)sc2c1CCCC2.NCc1ccc(N(CC(=O)O)C(=O)c2cccc(CN)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 4/20 0.39
CNR2 P34972 3/20 0.39
TP53 P04637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 4/20 0.38
USP2 O75604 1/20 0.37
PTGER2 P43116 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR2 O60603 4/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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 SCHEMBL5207834 0.98 PDE4D (0.41) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5280152 0.91 ALDH1A1 (0.40) MAPTALDH1A1CNR2TP53KDM4E
Trifluoroacetic Acid SCHEMBL5205966 0.90 PDE4D (0.39) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5209741 0.90 PDE4D (0.38) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5628234 0.89 ALDH1A1 (0.38) MAPTALDH1A1GAACNR2TP53
Trifluoroacetic Acid SCHEMBL5209515 0.89 MAPT (0.40) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5209718 0.89 FLT3 (0.39) MAPTALDH1A1GAAKDM4EHPGD
Trifluoroacetic Acid SCHEMBL5206475 0.88 PTGER4 (0.34) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL4809946 0.88 PDE4D (0.36) PDE4DMAPTALDH1A1GAACNR2
Trifluoroacetic Acid SCHEMBL5211954 0.88 FLT3 (0.37) MAPTALDH1A1GAATP53KDM4E

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