SCHEMBL30586942

SCHEMBL30586942

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.54
▸ TLR2 O60603 4/20 0.51
▸ MDM2 Q00987 5/20 0.47
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL29389331 0.96 CASP3 (0.57) CASP3TLR2MDM2MDM4TP53
SCHEMBL21738585 0.96 CASP3 (0.57) CASP3TLR2MDM2MDM4TP53
Hydrochloric Acid SCHEMBL21802660 0.95 CASP3 (0.56) CASP3TLR2MDM2MDM4TP53
Hydrochloric Acid SCHEMBL21802658 0.95 CASP3 (0.56) CASP3TLR2MDM2MDM4TP53
SCHEMBL30175789 0.94 TLR2 (0.54) CASP3TLR2MDM2MDM4TP53
SCHEMBL21633436 0.93 TLR2 (0.55) CASP3TLR2MDM2MDM4TP53
SCHEMBL30773477 0.91 CASP3 (0.53) CASP3TLR2MDM2
SCHEMBL31317732 0.90 CASP3 (0.60) CASP3TLR2MDM2MDM4TP53
SCHEMBL30025961 0.90 TLR2 (0.49) CASP3TLR2
SCHEMBL29697612 0.88 TLR2 (0.53) CASP3TLR2MDM2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789768-B Preparation method of F1 polypeptide 中奥生物医药技术(广东)有限公司 2024-03-15 — — CN claimed
CN-116789768-A Preparation method of F1 polypeptide 中奥生物医药技术(广东)有限公司 2023-09-22 — — CN claimed
CN-116789768-B Preparation method of F1 polypeptide 中奥生物医药技术(广东)有限公司 2024-03-15 — — CN disclosed
CN-116789768-A Preparation method of F1 polypeptide 中奥生物医药技术(广东)有限公司 2023-09-22 — — CN disclosed
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