Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7430854

Cc1cc(COc2ccccc2[C@H]2CCN([C@@H](C(=O)NO)N(C)C)C2=O)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.56
MMP2 P08253 9/20 0.52
MMP9 P14780 4/20 0.52
MMP1 P03956 2/20 0.49
MMP3 P08254 2/20 0.47
MMP7 P09237 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
MMP15 P51511 1/20 0.47
MMP16 P51512 1/20 0.47
ADAM33 Q9BZ11 1/20 0.47

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 SCHEMBL7430366 0.90 ADAM17 (0.59) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7427259 0.84 ADAM17 (0.65) ADAM17MMP2MMP9MMP1MMP3
Trifluoroacetic Acid SCHEMBL6626825 0.78 ADAM17 (0.62) ADAM17MMP2MMP9MMP1MMP3
Trifluoroacetic Acid SCHEMBL7669866 0.77 ADAM17 (0.91) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7661679 0.76 ADAM17 (0.92) ADAM17MMP2MMP9MMP1
SCHEMBL7427250 0.74 ADAM17 (0.67) ADAM17MMP2MMP9MMP1MMP3
Trifluoroacetic Acid SCHEMBL7665967 0.74 ADAM17 (0.91) ADAM17MMP2MMP9MMP1
SCHEMBL7425875 0.74 ADAM17 (0.68) ADAM17MMP2MMP9MMP1MMP3
SCHEMBL7428024 0.74 ADAM17 (0.68) ADAM17MMP2MMP9MMP1MMP3
Trifluoroacetic Acid SCHEMBL7673481 0.73 ADAM17 (0.83) ADAM17MMP2MMP9MMP1

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
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed