SCHEMBL7902079

SCHEMBL7902079

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)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.51
▸ MDM2 Q00987 1/20 0.44
▸ GRB2 P62993 1/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ TLR2 O60603 2/20 0.42
▸ ACE P12821 1/20 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
SCHEMBL7261546 0.94 PTPN1 (0.49) PTPN1MDM2GRB2MDM4TP53
SCHEMBL29755484 0.91 PTPN1 (0.55) PTPN1MDM2MDM4TP53TLR2
SCHEMBL23728661 0.88 MDM2 (0.53) PTPN1MDM2MDM4TP53TLR2
SCHEMBL30523139 0.88 MDM2 (0.53) PTPN1MDM2MDM4TP53TLR2
SCHEMBL23728660 0.88 MDM2 (0.53) PTPN1MDM2MDM4TP53TLR2
SCHEMBL17697136 0.88 MDM2 (0.53) PTPN1MDM2MDM4TP53TLR2
SCHEMBL120691 0.86 MDM4 (0.52) PTPN1MDM2MDM4TP53SLC17A5
SCHEMBL29401272 0.86 MDM4 (0.52) PTPN1MDM2MDM4TP53SLC17A5
SCHEMBL12658044 0.86 PTPN1 (0.53) PTPN1MDM2MDM4TP53TLR2
SCHEMBL30523140 0.86 PTPN1 (0.53) PTPN1MDM2MDM4TP53TLR2

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-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 — — US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 — — US disclosed
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