Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208680

CCOC(=O)c1c(C(N)=O)sc2c1CC(C)CC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPT P10636 6/20 0.36
TP53 P04637 4/20 0.36
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
TLR2 O60603 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
HTT P42858 1/20 0.32
PDE4D Q08499 1/20 0.32
ADORA1 P30542 1/20 0.31
FOLH1 Q04609 1/20 0.31

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 SCHEMBL5206983 0.95 MAPT (0.41) KDM4EMAPTTP53HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL5207834 0.90 PDE4D (0.41) KDM4EMAPTTP53HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL5207793 0.88 PDE4D (0.40) KDM4EMAPTTP53HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL5210556 0.87 CXCR2 (0.43) KDM4EALDH1A1LMNAOPRM1OPRD1
Trifluoroacetic Acid SCHEMBL5209515 0.86 MAPT (0.40) KDM4EMAPTTP53HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL5206475 0.86 PTGER4 (0.34) MAPTTP53ALDH1A1GAALMNA
Trifluoroacetic Acid SCHEMBL5210732 0.85 MAPT (0.35) KDM4EMAPTTP53HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL5208832 0.83 OPRM1 (0.35) MAPTTP53HPGDTSHRLMNA
Trifluoroacetic Acid SCHEMBL5628234 0.83 ALDH1A1 (0.38) KDM4EMAPTTP53HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL5280152 0.83 ALDH1A1 (0.40) KDM4EMAPTTP53HPGDALDH1A1

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