SCHEMBL29864868

SCHEMBL29864868

C=CCOC(=O)N[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 9/20 0.50
▸ MDM4 O15151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ TNF P01375 2/20 0.46
▸ MDM2 Q00987 1/20 0.46

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
SCHEMBL31166669 1.00 CASP1 (0.50) CASP1MDM4TP53CASP3TNF
SCHEMBL29398340 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL30641530 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL119369 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL29400275 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL30826385 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL10187049 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL8037759 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL30802532 0.96 CASP3 (0.53) CASP1MDM4TP53CASP3TNF
SCHEMBL30656568 0.90 MDM4 (0.59) MDM4TP53CASP3TNFMDM2

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-115057910-A Complement activity regulator, preparation method and medical application thereof 上海翰森生物医药科技有限公司 2022-09-16 — — CN disclosed
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