Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7029667

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 13/20 0.54
▸ MMP2 P08253 12/20 0.54
▸ MMP3 P08254 11/20 0.54
▸ MMP7 P09237 1/20 0.54
▸ MMP9 P14780 2/20 0.52
▸ FCER2 P06734 1/20 0.51
▸ MMP12 P39900 1/20 0.49
▸ MMP8 P22894 1/20 0.48

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
SCHEMBL20669159 0.83 MMP1 (0.61) MMP1MMP2MMP3MMP7MMP9
SCHEMBL14932673 0.82 MMP3 (0.52) MMP1MMP2MMP3MMP7MMP9
Hydrochloric Acid SCHEMBL16228016 0.82 MMP3 (0.51) MMP1MMP2MMP3MMP7MMP9
Hydrochloric Acid SCHEMBL16228017 0.82 MMP3 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2567392 0.80 TSHR (0.54) MMP1MMP2MMP3MMP9
SCHEMBL2567389 0.80 TSHR (0.54) MMP1MMP2MMP3MMP9
SCHEMBL6247713 0.80 TSHR (0.54) MMP1MMP2MMP3MMP9
SCHEMBL19360818 0.80 MMP1 (0.60) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8764075 0.80 MMP1 (0.59) MMP1MMP2MMP3MMP7MMP9
Trifluoroacetic Acid SCHEMBL29076919 0.79 CAPN1 (0.54) MMP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140984-B1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMA INC (US) 2003-02-12 — — EP disclosed
US-6352976-B1 ENZYME INHIBITORS OF MATRIX METALLOPROTEINASE FOR EMPHYSEMA AVENTIS PHARMACEUTICALS INC. 2002-03-05 — — US disclosed
EP-1140984-A1 SELECTIVE INHIBITORS OF MMP-12 Aventis Pharmaceuticals Inc. (US) 2001-10-10 — — EP disclosed
WO-2000040600-A1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 — — WO disclosed
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