SCHEMBL29105490

SCHEMBL29105490

CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.49
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ACE P12821 1/20 0.48
▸ MDM2 Q00987 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ TNF P01375 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
SCHEMBL29105492 1.00 PTPN1 (0.49) PTPN1MDM4TP53ACEMDM2
SCHEMBL13296543 0.96 PTPN1 (0.48) PTPN1MDM4TP53ACEMDM2
SCHEMBL29105488 0.94 PTPN1 (0.49) PTPN1
SCHEMBL29105489 0.94 PTPN1 (0.49) PTPN1
SCHEMBL22264471 0.93 MDM4 (0.51) MDM4TP53MDM2CASP3TNF
SCHEMBL29372063 0.93 MDM4 (0.51) MDM4TP53MDM2CASP3TNF
SCHEMBL29480573 0.92 PTPN1 (0.48) PTPN1
SCHEMBL29480453 0.91 PTPN1 (0.47) PTPN1
SCHEMBL29755484 0.91 PTPN1 (0.55) PTPN1MDM4TP53ACEMDM2
SCHEMBL29462660 0.91 CASP3 (0.50) 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-117024476-A diphenylphosphonooxy-X-phenol compound, preparation method and application in preparation of aspartame 西北工业大学 2023-11-10 — — CN disclosed
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