SCHEMBL29077869

SCHEMBL29077869

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ FURIN P09958 2/20 0.37
▸ GRB2 P62993 1/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ SIRT5 Q9NXA8 2/20 0.36
▸ TLR2 O60603 1/20 0.35

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
SCHEMBL29077872 1.00 PTPN1 (0.44) PTPN1KMT2AFURINGRB2CASP3
SCHEMBL29077936 1.00 PTPN1 (0.44) PTPN1KMT2AFURINGRB2CASP3
SCHEMBL29077921 1.00 PTPN1 (0.44) PTPN1KMT2AFURINGRB2CASP3
SCHEMBL29077866 1.00 PTPN1 (0.44) PTPN1KMT2AFURINGRB2CASP3
SCHEMBL29609021 0.95 PTPN1 (0.39) PTPN1KMT2AFURINMAP1LC3BTLR2
SCHEMBL29609010 0.95 PTPN1 (0.39) PTPN1KMT2AFURINMAP1LC3BTLR2
SCHEMBL29608650 0.95 PTPN1 (0.39) PTPN1KMT2AFURINMAP1LC3BTLR2
SCHEMBL29610184 0.95 PTPN1 (0.39) PTPN1KMT2AFURINMAP1LC3BTLR2
SCHEMBL23880545 0.94 TLR2 (0.39) PTPN1KMT2AFURINCASP3MAP1LC3B
SCHEMBL31035902 0.94 TLR2 (0.39) PTPN1KMT2AFURINCASP3MAP1LC3B

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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