SCHEMBL30718998

SCHEMBL30718998

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.54
▸ PTPN1 P18031 4/20 0.48
▸ MDM2 Q00987 4/20 0.47
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45

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
SCHEMBL30718910 0.94 TLR2 (0.49) TLR2PTPN1MDM2CPB1CPB2
SCHEMBL30395722 0.93 TLR2 (0.49) TLR2PTPN1MDM2CPB1CPB2
SCHEMBL30395747 0.93 TLR2 (0.49) TLR2PTPN1MDM2CPB1CPB2
SCHEMBL30424779 0.91 TLR2 (0.55) TLR2PTPN1MDM2
SCHEMBL30749154 0.91 TLR2 (0.55) TLR2PTPN1MDM2
SCHEMBL29414974 0.91 TLR2 (0.55) TLR2PTPN1MDM2
SCHEMBL31138047 0.91 TLR2 (0.55) TLR2PTPN1MDM2
SCHEMBL29693012 0.91 TLR2 (0.53) TLR2MDM2
SCHEMBL29561038 0.87 TLR2 (0.51) TLR2MDM2
SCHEMBL31138058 0.86 PTPN1 (0.57) TLR2PTPN1MDM2

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-116948008-A Preparation method of salmon calcitonin 上海苏豪逸明制药有限公司 2023-10-27 — — CN claimed
CN-116948008-A Preparation method of salmon calcitonin 上海苏豪逸明制药有限公司 2023-10-27 — — CN disclosed
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