SCHEMBL7261546

SCHEMBL7261546

CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.49
▸ GRB2 P62993 1/20 0.42
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MDM2 Q00987 1/20 0.40

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
SCHEMBL7902079 0.94 PTPN1 (0.51) PTPN1GRB2MDM4TP53MDM2
SCHEMBL23446219 0.86 PTPN1 (0.47) PTPN1MDM4TP53MDM2
SCHEMBL17182790 0.86 MDM4 (0.40) PTPN1MDM4TP53MDM2
SCHEMBL29755484 0.85 PTPN1 (0.55) PTPN1MDM4TP53MDM2
SCHEMBL27728772 0.84 MDM4 (0.49) MDM4TP53MDM2
SCHEMBL29978024 0.84 PTPN1 (0.54) PTPN1GRB2MDM4TP53MDM2
SCHEMBL14729329 0.84 PTPN1 (0.47) PTPN1MDM4TP53MDM2
SCHEMBL18145431 0.84 PTPN1 (0.47) PTPN1MDM4TP53MDM2
SCHEMBL23728660 0.84 MDM2 (0.53) PTPN1MDM4TP53MDM2
SCHEMBL20998310 0.84 PTPN1 (0.49) PTPN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 — — EP disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 — — US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 — — EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 — — WO disclosed
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