Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6890911

CN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1(c2ccccc2)CCC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.51
FPR1 P21462 4/20 0.51
HRAS P01112 3/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARG P37231 3/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
LTA4H P09960 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6885351 0.77 HRAS (0.43) FPR2FPR1HRASITGB3ITGA2B
SCHEMBL6890914 0.77 LTA4H (0.41) HRASMMP9MMP8PPARGLTA4H
Trifluoroacetic Acid SCHEMBL8645040 0.74 MMP9 (0.48) MMP9MMP8MMEACECPA1
SCHEMBL8615470 0.74 MMP9 (0.53) HRASMMP9MMP8MMEACE
SCHEMBL3499760 0.73 LTA4H (0.65) MMP9MMP8MMEACECPA1
SCHEMBL3499757 0.73 LTA4H (0.65) MMP9MMP8MMEACECPA1
SCHEMBL8760872 0.73 PPARG (0.67) MMP9MMP8MMEACECPA1
SCHEMBL2035189 0.73 PPARG (0.67) MMP9MMP8MMEACECPA1
SCHEMBL2030203 0.73 PPARG (0.67) MMP9MMP8MMEACECPA1
Hydrochloric Acid SCHEMBL29693844 0.72 LTA4H (0.64) MMP9MMP8MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737410-B1 SMOOTH MUSCLE ANTIPROLIFERATION AGENTS; SUCH AS 1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-METHYL-CARBAMOYL)-2 -(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2004-05-18 US disclosed
US-6265382-B1 E.G., (S--(R*, R*))-(1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-M ETHYL-CARBAM OYL)-2-(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
WO-1998046625-A1 DIPEPTIDE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-10-22 WO disclosed