SCHEMBL29159682

SCHEMBL29159682

O=C(O)C[C@H](NC(=O)c1ccccc1)C(=O)O.[NaH].[NaH]

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA1 P00915 4/20 0.63
CASP3 P42574 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ACE P12821 2/20 0.51
MME P08473 1/20 0.50
PTPN1 P18031 1/20 0.50
SLC1A2 P43004 1/20 0.49
TMPRSS15 P98073 1/20 0.48
IDO1 P14902 1/20 0.48

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
SCHEMBL697053 0.98 CA2 (0.65) CA2CA1CASP3GAAMAPT
SCHEMBL712931 0.98 CA2 (0.65) CA2CA1CASP3GAAMAPT
SCHEMBL697052 0.98 CA2 (0.65) CA2CA1CASP3GAAMAPT
SCHEMBL29277520 0.85 CA2 (0.62) CA2CA1CASP3GAA
SCHEMBL28334970 0.84 CA2 (0.50) CA2CA1ACEPTPN1SLC1A2
SCHEMBL5280601 0.84 CA2 (0.68) CA2CA1ACEPTPN1SLC1A2
SCHEMBL9829891 0.84 CA2 (0.66) CA2CA1CASP3PTPN1TMPRSS15
SCHEMBL9829896 0.84 CA2 (0.66) CA2CA1CASP3PTPN1TMPRSS15
SCHEMBL5191250 0.84 CA2 (0.68) CA2CA1ACEPTPN1SLC1A2
Phenylalanine SCHEMBL10413087 0.84 SLC7A5 (0.59) CA2CA1GAAMAPTACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117580906-A Nucleating agent composition, resin composition, molded article thereof, and method for producing resin composition 株式会社ADEKA 2024-02-20 CN disclosed
CN-115335447-B Nucleating agent, resin composition, method for producing resin composition, and molded article 株式会社ADEKA 2023-12-29 CN disclosed