Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6578085

O=C(NO)C(CCCc1ccccc1)CS(=O)(=O)C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.51
MMP9 P14780 7/20 0.51
MMP8 P22894 5/20 0.51
MMP3 P08254 12/20 0.49
MMP1 P03956 8/20 0.49
MMP14 P50281 2/20 0.38
MMP7 P09237 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL6580390 0.83 MMP2 (0.51) MMP2MMP9MMP8MMP3MMP1
SCHEMBL6578119 0.81 MMP2 (0.56) MMP2MMP9MMP8MMP3MMP1
SCHEMBL6578655 0.79 MMP2 (0.53) MMP2MMP9MMP8MMP3MMP1
SCHEMBL6575904 0.77 MMP1 (0.55) MMP2MMP9MMP8MMP3MMP1
SCHEMBL6578667 0.76 STS (0.51) MMP2MMP9MMP8MMP3MMP1
SCHEMBL6578081 0.74 MMP2 (0.48) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7079165 0.73 MMP2 (0.54) MMP2MMP9MMP8MMP3MMP1
SCHEMBL5196301 0.70 HDAC3 (0.63) MMP2MMP9MMP8MMP3MMP1
SCHEMBL3266605 0.70 MMP2 (0.54) MMP2MMP3MMP1
SCHEMBL6578098 0.70 MMP2 (0.51) MMP2MMP9MMP8MMP3MMP1

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
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP claimed