SCHEMBL28969018

SCHEMBL28969018

C=CCOC(=O)[C@H](Cc1nnc(-c2ccc(C(=O)O)cc2)s1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 3/20 0.49
▸ CSNK2A1 P68400 3/20 0.49
▸ MDM4 O15151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MDM2 Q00987 7/20 0.40
▸ CASP3 P42574 2/20 0.38

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
SCHEMBL28969020 1.00 CSNK2A2 (0.49) CSNK2A2CSNK2A1MDM4TP53MDM2
SCHEMBL30306827 0.92 MDM4 (0.41) CSNK2A2CSNK2A1MDM4TP53MDM2
SCHEMBL28969035 0.82 MDM4 (0.46) CSNK2A2CSNK2A1MDM4TP53MDM2
SCHEMBL28969036 0.82 MDM4 (0.46) CSNK2A2CSNK2A1MDM4TP53MDM2
SCHEMBL28969021 0.82 MDM4 (0.50) MDM4TP53MDM2CASP3
SCHEMBL28969022 0.82 MDM4 (0.50) MDM4TP53MDM2CASP3
SCHEMBL30714788 0.78 MDM4 (0.43) MDM4TP53MDM2CASP3
SCHEMBL31080842 0.78 MDM4 (0.44) MDM4TP53MDM2CASP3
SCHEMBL21764273 0.77 MDM4 (0.47) MDM4TP53MDM2CASP3
SCHEMBL29532800 0.77 MDM4 (0.47) MDM4TP53MDM2CASP3

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-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
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