SCHEMBL473070

SCHEMBL473070

O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA4 P22748 1/20 0.47
MME P08473 3/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.38
CASP3 P42574 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
TMPRSS15 P98073 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
FOLH1 Q04609 1/20 0.36
RIMKLA Q8IXN7 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36

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
SCHEMBL7832189 1.00 CA2 (0.47) CA2CA4MMEGAAMAPT
SCHEMBL5611391 1.00 CA2 (0.47) CA2CA4MMEGAAMAPT
SCHEMBL6620753 0.84 ITGB2 (0.47) CA2CA1TMPRSS15FOLH1
SCHEMBL19463542 0.84 ITGB2 (0.47) CA2CA1TMPRSS15FOLH1
SCHEMBL6620751 0.84 ITGB2 (0.47) CA2CA1TMPRSS15FOLH1
SCHEMBL7772671 0.82 ECE1 (0.43) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL4216202 0.82 CA2 (0.33) CA2CA4TMPRSS15
SCHEMBL5350166 0.82 SLC22A6 (0.33) CA2CA4GAAMAPTSLC22A6
SCHEMBL5344417 0.82 SLC22A6 (0.33) CA2CA4GAAMAPTSLC22A6
SCHEMBL7834369 0.82 SLC22A6 (0.33) CA2CA4GAAMAPTSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099793-B1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2012-02-01 EP disclosed
EP-0334236-B1 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 1994-08-31 EP disclosed
US-5302743-A Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed
EP-0334236-A2 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-27 EP disclosed
US-4338346-A Non-nutritive sweetener THE PROCTER & GAMBLE COMPANY (US) 1982-07-06 US disclosed
EP-0013044-A1 L-aspartyl amide derivatives and their use as sweetening agents THE PROCTER & GAMBLE COMPANY (US) 1980-07-09 EP disclosed