SCHEMBL29516484

SCHEMBL29516484

CC(C)(C)OC(=O)CCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
CASP3 P42574 2/20 0.37
MDM2 Q00987 1/20 0.36
EPHX2 P34913 1/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7062622 1.00 KMT2A (0.42) KMT2AFABP5FABP7CASP3MDM2
SCHEMBL12314878 0.92 KMT2A (0.41) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL30983406 0.92 KMT2A (0.46) KMT2AFABP5FABP7CASP3MDM2
SCHEMBL30278742 0.91 KMT2A (0.47) KMT2AFABP5FABP7CASP3MDM2
SCHEMBL22091999 0.91 KMT2A (0.47) KMT2AFABP5FABP7CASP3MDM2
SCHEMBL29521277 0.90 KMT2A (0.41) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL16060098 0.90 KMT2A (0.41) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL31000664 0.89 KMT2A (0.36) KMT2AFABP5FABP7EPHX2
SCHEMBL22092037 0.88 KMT2A (0.39) KMT2AFABP5FABP7MDM2EPHX2
SCHEMBL31688637 0.86 KMT2A (0.36) KMT2AFABP5FABP7CASP3MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448097-A1 PEPTIDE DUAL AGONISTS OF GIPR AND GLP2R Bainan Biotech ApS (DK) 2024-10-23 EP disclosed
EP-4448098-A2 PEPTIDES TRIPLE AGONISTS OF GIP, GLP-1 AND GLP-2 Bainan Biotech ApS (DK) 2024-10-23 EP disclosed
WO-2024133382-A1 GLP1/GIP/NPY2 RECEPTOR TRIPLE AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-27 WO disclosed
CN-117940444-A Caspase-2 inhibitor compounds 金特速吉医疗有限责任公司 2024-04-26 CN disclosed
EP-4232459-A1 NOVEL CXCR4-TARGETING COMPOUNDS Provincial Health Services Authority (CA) 2023-08-30 EP disclosed
WO-2023111273-A1 PEPTIDE DUAL AGONISTS OF GIPR AND GLP2R BAINAN BIOTECH APS (DK) 2023-06-22 WO disclosed
WO-2023111278-A2 PEPTIDES TRIPLE AGONISTS OF GIP, GLP-1 AND GLP-2 BAINAN BIOTECH APS (DK) 2023-06-22 WO disclosed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 WO disclosed