SCHEMBL30598967

SCHEMBL30598967

NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.55
▸ ITGB3 P05106 4/20 0.51
▸ ITGA2B P08514 4/20 0.51
▸ PTPN1 P18031 5/20 0.50
▸ ECE1 P42892 1/20 0.49

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
SCHEMBL20758974 0.97 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20758846 0.97 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL20759079 0.97 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL31566096 0.97 TLR2 (0.55) TLR2PTPN1ECE1
SCHEMBL30150290 0.96 TLR2 (0.53) TLR2ITGB3ITGA2BPTPN1ECE1
SCHEMBL30193301 0.96 TLR2 (0.53) TLR2ITGB3ITGA2BPTPN1ECE1
SCHEMBL14374768 0.93 PTPN1 (0.55) TLR2PTPN1
SCHEMBL31212512 0.93 TLR2 (0.59) TLR2PTPN1
SCHEMBL30099539 0.93 PTPN1 (0.57) TLR2PTPN1ECE1
SCHEMBL19423749 0.91 TLR2 (0.55) TLR2PTPN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005739-B Polypeptide APH229 of drug-resistant strain, preparation method and application thereof 南京华盖制药有限公司 2024-06-21 — — CN disclosed
CN-118005741-B Antibacterial polypeptide AP16A and preparation method and application thereof 中国药科大学 2024-06-07 — — CN disclosed
CN-118005741-A Antibacterial polypeptide AP16A and preparation method and application thereof 中国药科大学 2024-05-10 — — CN disclosed
CN-118005739-A Polypeptide APH229 of drug-resistant strain, preparation method and application thereof 南京华盖制药有限公司 2024-05-10 — — CN disclosed
CN-116874614-B Antibacterial polypeptide APH171 with high activity and low cracking effect, and preparation method and application thereof 南京华盖制药有限公司 2023-11-17 — — CN disclosed
CN-116874614-A Antibacterial polypeptide APH171 with high activity and low cracking effect, and preparation method and application thereof 南京华盖制药有限公司 2023-10-13 — — CN disclosed
Send feedback