SCHEMBL9136556

SCHEMBL9136556

CC(C)(C)OP(=O)(OC(C)(C)C)C(F)(F)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.49
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
PTPN1 P18031 2/20 0.47
CASP3 P42574 1/20 0.43

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
SCHEMBL9136558 1.00 MDM2 (0.49) MDM2MDM4TP53PTPN1CASP3
SCHEMBL5493695 0.89 MDM2 (0.49) MDM2MDM4TP53PTPN1CASP3
SCHEMBL8933064 0.88 MDM2 (0.52) MDM2MDM4TP53PTPN1CASP3
SCHEMBL9247661 0.88 MDM2 (0.48) MDM2MDM4TP53PTPN1CASP3
SCHEMBL7868739 0.86 MDM4 (0.49) MDM2MDM4TP53CASP3
SCHEMBL9545907 0.86 MDM4 (0.49) MDM2MDM4TP53CASP3
SCHEMBL9164727 0.86 MDM4 (0.49) MDM2MDM4TP53CASP3
SCHEMBL3725047 0.86 MDM4 (0.55) MDM2MDM4TP53PTPN1CASP3
SCHEMBL3724885 0.86 MDM2 (0.59) MDM2MDM4TP53PTPN1CASP3
SCHEMBL2304915 0.86 MDM2 (0.59) MDM2MDM4TP53PTPN1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5475129-A Phosphonoalkyl phenylalanine compounds suitably protected for use in peptide synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-12-12 US disclosed
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 disclosed
US-5264607-A Process of making benzylic α,α-diflurophosphonates from benzylic α-ketophosphorates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-11-23 US disclosed