Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7735541

CCOC(=O)c1coc([C@@H](CCc2ccccc2)NC(=O)[C@H](N)CCCN)n1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.41
DAGLA Q9Y4D2 2/20 0.37
MMP2 P08253 2/20 0.37
BMP1 P13497 1/20 0.37
OPRK1 P41145 1/20 0.36
LNPEP Q9UIQ6 3/20 0.36
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
ERAP2 Q6P179 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
CTSC P53634 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SRC P12931 1/20 0.35
ZAP70 P43403 1/20 0.35
PTPRB P23467 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) DAGLAMMP2LNPEPPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7733824 0.89 MMP2 (0.39) DAGLAMMP2OPRK1LNPEPERAP2
SCHEMBL7733828 0.88 DAGLA (0.38) DAGLAMMP2LNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7732364 0.86 PRSS1 (0.40) CCR3MMP2LNPEPPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7732324 0.81 SLC7A11 (0.37) MMP2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL7732329 0.79 ZAP70 (0.34) CCR3DAGLAPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL8360682 0.79 LNPEP (0.35) LNPEPERAP2ERAP1SRCZAP70
Trifluoroacetic Acid SCHEMBL7723297 0.79 RAB9A (0.41) SMN1; SMN2HDAC6ALDH1A1MAPTRAB9A
SCHEMBL7730376 0.78 TSHR (0.49) CCR3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7861009 0.77 MMP2 (0.40) MMP2LNPEPPRSS1PRSS2PRSS3

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