SCHEMBL29978024

SCHEMBL29978024

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.54
GRB2 P62993 1/20 0.45
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 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
SCHEMBL30590008 0.95 PTPN1 (0.53) PTPN1GRB2MDM2
SCHEMBL30065504 0.92 PTPN1 (0.53) PTPN1GRB2MDM4TP53MDM2
SCHEMBL30887576 0.92 PTPN1 (0.51) PTPN1MDM4TP53
SCHEMBL20998310 0.91 PTPN1 (0.49) PTPN1MDM2
SCHEMBL29978516 0.91 PTPN1 (0.49) PTPN1GRB2MDM4TP53MDM2
Hydrochloric Acid SCHEMBL30261435 0.91 PTPN1 (0.50) PTPN1MDM4TP53
SCHEMBL23446219 0.90 PTPN1 (0.47) PTPN1MDM4TP53MDM2
SCHEMBL27728772 0.90 MDM4 (0.49) MDM4TP53MDM2
SCHEMBL9449850 0.89 MDM4 (0.51) PTPN1MDM4TP53MDM2
SCHEMBL18145431 0.89 PTPN1 (0.47) PTPN1MDM4TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129277-B2 Linear solution phase routes for WNT hexapeptides WNTRESEARCH AB (SE) 2024-10-29 US disclosed
EP-3894426-B1 LINEAR SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES WNTRESEARCH AB (SE) 2022-09-21 EP disclosed