SCHEMBL29078212

SCHEMBL29078212

CC(C)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)CCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.38
▸ FURIN P09958 3/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ SIRT5 Q9NXA8 2/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ GRB2 P62993 1/20 0.34

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
SCHEMBL29077887 1.00 PTPN1 (0.38) PTPN1FURINMAP1LC3BKMT2APSMB5
SCHEMBL29077888 1.00 PTPN1 (0.38) PTPN1FURINMAP1LC3BKMT2APSMB5
SCHEMBL29077877 1.00 PTPN1 (0.38) PTPN1FURINMAP1LC3BKMT2APSMB5
SCHEMBL29077926 1.00 PTPN1 (0.38) PTPN1FURINMAP1LC3BKMT2APSMB5
SCHEMBL31041108 1.00 PTPN1 (0.38) PTPN1FURINMAP1LC3BKMT2APSMB5
SCHEMBL29610198 0.95 PTPN1 (0.37) PTPN1FURINMAP1LC3BPSMB5SSTR3
SCHEMBL29609019 0.95 PTPN1 (0.37) PTPN1FURINMAP1LC3BPSMB5SSTR3
SCHEMBL29609496 0.95 PTPN1 (0.37) PTPN1FURINMAP1LC3BPSMB5SSTR3
SCHEMBL23880537 0.95 MAP1LC3B (0.37) PTPN1FURINMAP1LC3BSIRT5SSTR3
SCHEMBL19432556 0.95 MAP1LC3B (0.37) PTPN1FURINMAP1LC3BSIRT5SSTR3

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
CN-118085100-A Camptothecin analogues conjugated to glutamine residues in proteins and uses thereof 瑞泽恩制药公司 2024-05-28 — — CN disclosed
CN-116390771-A Camptothecin analogues conjugated to glutamine residues in proteins and uses thereof 瑞泽恩制药公司 2023-07-04 — — CN disclosed
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