SCHEMBL29157130

SCHEMBL29157130

O=C(O)CC(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 3/20 0.52
▸ UTS2R Q9UKP6 9/20 0.52
▸ SUCNR1 Q9BXA5 2/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ CNR1 P21554 1/20 0.46
▸ FDFT1 P37268 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL29157126 0.90 CTSA (0.51) CTSAMEN1KMT2AFFAR1
SCHEMBL29157110 0.86 CTSA (0.46) CTSAMEN1KMT2AFFAR1
SCHEMBL29157134 0.86 CTSA (0.49) CTSAMEN1KMT2ALMNAFFAR1
SCHEMBL29157107 0.86 UTS2R (0.49) CTSAUTS2RMAPTLMNASMN1; SMN2
SCHEMBL29157112 0.85 CTSA (0.52) CTSASUCNR1MAPTMEN1KMT2A
SCHEMBL29157096 0.83 HTT (0.51) UTS2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29157149 0.82 FFAR1 (0.52) CTSAMEN1KMT2AFFAR1
SCHEMBL5691034 0.80 EEF2K (0.48) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL9298256 0.80 EEF2K (0.48) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL27979447 0.79 MAPT (0.50) UTS2RMAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117550987-A Method for synthesizing beta-amino acid compound based on alkene nitrogen carboxylation reaction 四川大学 2024-02-13 — — CN disclosed
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