Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL11288932

NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGB5 P18084 1/20 0.38
TMPRSS15 P98073 1/20 0.36
TERT O14746 1/20 0.34
MMP2 P08253 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TMPRSS6 Q8IU80 1/20 0.32
EGLN1 Q9GZT9 2/20 0.31
FAAH O00519 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 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
SCHEMBL6130185 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL6677616 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL6120072 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL1402291 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL391787 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
Glycylglycylglycine SCHEMBL98565 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL391028 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL6674893 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL6674512 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1
SCHEMBL93766 0.88 GLRA1 (0.43) ITGB1ITGA5TERTMMP2GLRA1

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-4351828-A N-Substituted cyclopeptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4237045-A N-substituted cyclopeptide derivatives and preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1980-12-02 US disclosed