SCHEMBL31453529

SCHEMBL31453529

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.45
▸ PIN1 Q13526 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL29052325 0.91 CASP3 (0.45) CASP3PIN1KMT2ACTSLCTSB
SCHEMBL29051485 0.89 CASP3 (0.49) CASP3PIN1KMT2ACTSLCTSB
SCHEMBL31355420 0.89 CASP3 (0.49) CASP3PIN1KMT2ACTSLCTSB
SCHEMBL30887592 0.87 CASP3 (0.49) CASP3PIN1KMT2ACTSLCTSB
SCHEMBL30812611 0.87 CASP3 (0.42) CASP3PIN1KMT2ACTSLCTSB
SCHEMBL31098370 0.87 CASP3 (0.47) CASP3PIN1KMT2AMDM4TP53
SCHEMBL30812609 0.85 PIN1 (0.42) CASP3PIN1KMT2ACTSLCTSB
SCHEMBL31251126 0.82 CASP3 (0.51) CASP3PIN1KMT2ACTSLCTSB
Hydrochloric Acid SCHEMBL30261623 0.82 CASP3 (0.45) CASP3CTSBMDM4TP53
SCHEMBL31488367 0.82 CASP3 (0.43) CASP3PIN1KMT2AMDM4TP53

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
WO-2025092769-A1 PREPARATION METHOD FOR DUAL GIP AND GLP-1 RECEPTOR AGONIST 博瑞生物医药(苏州)股份有限公司 2025-05-08 — — WO disclosed
CN-119930756-A Preparation method of dual receptor agonist of GIP and GLP-1 博瑞生物医药(苏州)股份有限公司 2025-05-06 — — CN disclosed
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