Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7731056

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(C(=O)OCc2ccccc2)co1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.38
PRSS2 P07478 8/20 0.38
PRSS3 P35030 8/20 0.38
TPSAB1 Q15661 8/20 0.38
LTA4H P09960 1/20 0.37
MAPT P10636 1/20 0.37
ANPEP P15144 1/20 0.36
MMP2 P08253 1/20 0.36
DAGLA Q9Y4D2 2/20 0.35
LNPEP Q9UIQ6 2/20 0.35

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 SCHEMBL7732364 0.93 PRSS1 (0.40) PRSS1PRSS2PRSS3TPSAB1LTA4H
Trifluoroacetic Acid SCHEMBL7735541 0.93 CCR3 (0.41) PRSS1PRSS2PRSS3TPSAB1MAPT
Trifluoroacetic Acid SCHEMBL7733824 0.90 MMP2 (0.39) LTA4HMMP2DAGLALNPEP
SCHEMBL7733828 0.88 DAGLA (0.38) LTA4HMMP2DAGLALNPEP
Trifluoroacetic Acid SCHEMBL7732324 0.82 SLC7A11 (0.37) PRSS1PRSS2PRSS3TPSAB1LTA4H
SCHEMBL7732329 0.80 ZAP70 (0.34) PRSS1PRSS2PRSS3TPSAB1LTA4H
Trifluoroacetic Acid SCHEMBL7723297 0.80 RAB9A (0.41) MAPT
Trifluoroacetic Acid SCHEMBL8360682 0.78 LNPEP (0.35) LTA4HLNPEP
SCHEMBL7861009 0.78 MMP2 (0.40) PRSS1PRSS2PRSS3TPSAB1LTA4H
SCHEMBL7723171 0.76 MAPT (0.56) MAPT

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed