SCHEMBL27093858

SCHEMBL27093858

CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)C=[N+]=[N-])C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.52
▸ TLR2 O60603 2/20 0.47
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MDM2 Q00987 2/20 0.44
▸ CASP3 P42574 2/20 0.44

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
SCHEMBL27093852 1.00 PTPN1 (0.52) PTPN1TLR2MDM4TP53MDM2
SCHEMBL27093790 0.93 TLR2 (0.49) PTPN1TLR2MDM4TP53MDM2
SCHEMBL27093787 0.93 TLR2 (0.49) PTPN1TLR2MDM4TP53MDM2
SCHEMBL19615686 0.91 PTPN1 (0.49) PTPN1TLR2
SCHEMBL29938622 0.91 PTPN1 (0.49) PTPN1TLR2CASP3
SCHEMBL18452568 0.91 PTPN1 (0.49) PTPN1TLR2CASP3
SCHEMBL18452611 0.91 PTPN1 (0.49) PTPN1TLR2
SCHEMBL18476829 0.91 PTPN1 (0.49) PTPN1TLR2
SCHEMBL29938558 0.91 MDM4 (0.52) TLR2MDM4TP53MDM2CASP3
SCHEMBL22347004 0.91 MDM4 (0.52) TLR2MDM4TP53MDM2CASP3

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
CN-112920092-A Prodrugs of glutamine analogs 约翰霍普金斯大学 2021-06-08 — — CN disclosed
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