Sugi Predict

Sugi Predict / Compounds / SCHEMBL9545916

SCHEMBL9545916

SCHEMBL9545916

CC(C)(C)P(=O)(C(F)c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ MDM2 Q00987 7/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ TNF P01375 1/20 0.43
▸ PTPN1 P18031 2/20 0.42

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
SCHEMBL9545900 1.00 MDM4 (0.49) MDM4TP53MDM2CASP3TNF
SCHEMBL9545885 1.00 MDM4 (0.49) MDM4TP53MDM2CASP3TNF
SCHEMBL9545902 0.89 MDM4 (0.47) MDM4TP53MDM2CASP3PTPN1
SCHEMBL9136620 0.89 MDM4 (0.47) MDM4TP53MDM2CASP3PTPN1
SCHEMBL9136617 0.89 MDM4 (0.47) MDM4TP53MDM2CASP3PTPN1
SCHEMBL21837686 0.85 MDM4 (0.52) MDM4TP53MDM2CASP3
SCHEMBL21837689 0.85 MDM4 (0.52) MDM4TP53MDM2CASP3
SCHEMBL30510224 0.85 MDM4 (0.52) MDM4TP53MDM2CASP3
SCHEMBL22444641 0.83 MDM4 (0.52) MDM4TP53MDM2CASP3TNF
SCHEMBL29929113 0.83 MDM4 (0.52) MDM4TP53MDM2CASP3TNF

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
WO-1993025561-A1 PHOSPHONOALKYL PHENYLALANINE COMPOUNDS SUITABLY PROTECTED FOR USE IN PEPTIDE SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-12-23 — — WO claimed