Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8892389

NCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.63
▸ CPB1 P15086 1/20 0.58
▸ CPB2 Q96IY4 1/20 0.58
▸ TGM2 P21980 4/20 0.56
▸ MMP2 P08253 2/20 0.55
▸ MMP9 P14780 2/20 0.55
▸ SIRT2 Q8IXJ6 1/20 0.55
▸ SIRT1 Q96EB6 1/20 0.55
▸ ITGB3 P05106 1/20 0.52
▸ ITGAV P06756 1/20 0.52

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
SCHEMBL23113656 0.94 FOLH1 (0.71) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL9389258 0.87 FOLH1 (0.61) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL24130579 0.87 FOLH1 (0.64) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL4539252 0.86 FOLH1 (0.69) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL464715 0.86 FOLH1 (0.78) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL4561005 0.86 FOLH1 (0.78) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL806151 0.86 FOLH1 (0.78) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL15976615 0.85 CA1 (0.66) FOLH1CPB1CPB2MMP2MMP9
SCHEMBL12247713 0.84 FOLH1 (0.63) FOLH1CPB1CPB2TGM2MMP2
SCHEMBL29072085 0.84 FOLH1 (0.76) FOLH1CPB1CPB2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599791-A BACTERICIDE ACTIVE AGAINST GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA GRUPPO LEPETIT SPA (IT) 1997-02-04 — — US disclosed
WO-1992012172-A9 AMIDES OF ANTIBIOTIC GE 2270 FACTORS — 1996-04-04 — — WO disclosed
EP-0565567-A1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS. LEPETIT SPA (IT) 1993-10-20 — — EP disclosed
WO-1992012172-A1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS GRUPPO LEPETIT S.P.A. (IT) 1992-07-23 — — WO disclosed
EP-0494078-A1 Amides of antibiotic ge 2270 factors GRUPPO LEPETIT S.p.A. (IT) 1992-07-08 — — EP disclosed
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