Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7731949

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(O)c1nc2ncccc2o1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.40
DAGLA Q9Y4D2 7/20 0.40
CES1 P23141 4/20 0.39
MMP2 P08253 1/20 0.36
CMA1 P23946 1/20 0.34
CTSC P53634 2/20 0.34
LTA4H P09960 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
CTSL P07711 1/20 0.32

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 SCHEMBL7731111 0.88 MMP2 (0.38) FAAHDAGLACES1MMP2CTSC
Trifluoroacetic Acid SCHEMBL7734181 0.84 OPRK1 (0.37) MMP2CTSCERAP2ERAP1LNPEP
Trifluoroacetic Acid SCHEMBL7733845 0.83 LMNA (0.39) MMP2CTSCERAP2ERAP1LNPEP
Trifluoroacetic Acid SCHEMBL7732038 0.81 CTSL (0.41) MMP2CTSCERAP2ERAP1LNPEP
SCHEMBL7730106 0.78 CTSC (0.38) MMP2CTSCLTA4HERAP2ERAP1
SCHEMBL7732452 0.77 LMNA (0.42) MMP2CTSCERAP2ERAP1LNPEP
SCHEMBL7723243 0.76 CTSL (0.43) MMP2CTSCERAP2ERAP1LNPEP
SCHEMBL7731860 0.76 FAAH (0.46) FAAHDAGLACES1CTSL
Trifluoroacetic Acid SCHEMBL7723157 0.75 HPGD (0.39) MMP2CTSCHSD17B10
Trifluoroacetic Acid SCHEMBL7734124 0.75 CYP1A2 (0.42) DAGLAMMP2

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed