SCHEMBL29938658

SCHEMBL29938658

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCOCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.54
▸ GRB2 P62993 1/20 0.46
▸ CAPN1 P07384 4/20 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
SCHEMBL27093769 1.00 PTPN1 (0.54) PTPN1GRB2CAPN1
SCHEMBL27093763 1.00 PTPN1 (0.54) PTPN1GRB2CAPN1
SCHEMBL27093789 1.00 PTPN1 (0.54) PTPN1GRB2CAPN1
SCHEMBL27093784 1.00 PTPN1 (0.54) PTPN1GRB2CAPN1
SCHEMBL29938696 1.00 PTPN1 (0.54) PTPN1GRB2CAPN1
SCHEMBL27093774 0.95 PTPN1 (0.48) PTPN1GRB2
SCHEMBL27093783 0.95 PTPN1 (0.48) PTPN1GRB2
SCHEMBL27093778 0.95 PTPN1 (0.48) PTPN1GRB2
SCHEMBL27093781 0.95 PTPN1 (0.48) PTPN1GRB2
SCHEMBL29938703 0.92 PTPN1 (0.50) PTPN1GRB2CAPN1

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
EP-4322961-A1 DENDRIMER-GLUTAMINE ANTAGONIST CONJUGATES AND METHODS OF USE THEREOF The Johns Hopkins University (US) 2024-02-21 — — EP disclosed
WO-2022221490-A1 DENDRIMER-GLUTAMINE ANTAGONIST CONJUGATES AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2022-10-20 — — WO disclosed
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