Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7732364

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccc2ccccc2c1)c1nc(C(=O)OCc2ccccc2)co1.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.40
PRSS2 P07478 4/20 0.40
PRSS3 P35030 4/20 0.40
TPSAB1 Q15661 4/20 0.40
SRC P12931 1/20 0.36
ZAP70 P43403 1/20 0.36
LTA4H P09960 1/20 0.36
CASP1 P29466 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
PLAU P00749 1/20 0.35
CCR3 P51677 1/20 0.34
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
ERAP2 Q6P179 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 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 SCHEMBL7731056 0.93 PRSS1 (0.38) PRSS1PRSS2PRSS3TPSAB1LTA4H
Trifluoroacetic Acid SCHEMBL7732324 0.90 SLC7A11 (0.37) PRSS1PRSS2PRSS3TPSAB1SRC
SCHEMBL7732329 0.88 ZAP70 (0.34) PRSS1PRSS2PRSS3TPSAB1SRC
Trifluoroacetic Acid SCHEMBL7735541 0.86 CCR3 (0.41) PRSS1PRSS2PRSS3TPSAB1SRC
Trifluoroacetic Acid SCHEMBL7733824 0.83 MMP2 (0.39) SRCZAP70LTA4HERAP2LNPEP
SCHEMBL7733828 0.82 DAGLA (0.38) SRCZAP70LTA4HERAP2LNPEP
SCHEMBL7733597 0.79 MAPT (0.51) CASP1CTSLCTSBCTSSCCR3
SCHEMBL7730721 0.78 LTA4H (0.40) SRCZAP70LTA4HERAP2LNPEP
SCHEMBL7735836 0.78 SLC1A3 (0.40) PRSS1PRSS2PRSS3TPSAB1CASP1
Trifluoroacetic Acid SCHEMBL7723297 0.77 RAB9A (0.41) 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 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