SCHEMBL9302479

SCHEMBL9302479

O=C1C[C@H](NC(=O)C(Cl)(Cl)Cl)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.31

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
SCHEMBL5413587 0.82 KDM4E (0.43)
SCHEMBL3825323 0.82 KDM4E (0.43)
SCHEMBL5344420 0.82 KDM4E (0.43)
SCHEMBL553861 0.77 CTRB1 (0.35)
SCHEMBL3596240 0.77 CTRB1 (0.35)
SCHEMBL8634789 0.77 CTRB1 (0.35)
SCHEMBL10873133 0.76 KDM4E (0.36)
SCHEMBL4655182 0.76 KDM4E (0.36)
SCHEMBL11126612 0.74 CTRB1 (0.31)
SCHEMBL7403132 0.73 GAA (0.37)

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
JP-62132863-A None JP 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
JP-S62132863-A NOVEL AMINO ACID DERIVATIVE AND SWEETENING AGENT AJINOMOTO CO INC 1987-06-16 JP disclosed