SCHEMBL29090597

SCHEMBL29090597

NCCOCCOCC(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TLR2 O60603 3/20 0.41
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.39
HTR2A P28223 1/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL29126365 0.90 KMT2A (0.44) KMT2ATLR2FABP5FABP7CA1
SCHEMBL28335815 0.88 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL28707225 0.88 KMT2A (0.47) KMT2ATLR2FABP5FABP7CA1
SCHEMBL25268241 0.87 KMT2A (0.46) KMT2ATLR2FABP5FABP7CA1
SCHEMBL29468817 0.87 TLR2 (0.38) KMT2ATLR2FABP5FABP7CASP3
SCHEMBL16011495 0.86 KMT2A (0.46) KMT2ATLR2FABP5FABP7CA1
SCHEMBL18528956 0.86 KMT2A (0.46) KMT2ATLR2FABP5FABP7CA1
SCHEMBL21436038 0.86 KMT2A (0.43) KMT2ATLR2FABP5FABP7CA1
SCHEMBL2316716 0.86 KMT2A (0.46) KMT2ATLR2FABP5FABP7CA1
SCHEMBL15878722 0.86 KMT2A (0.46) KMT2ATLR2FABP5FABP7CA1

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
WO-2024234320-A1 LONG-ACTING GLUCAGON-LIKE PEPTIDE-1 DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京知和医药科技有限公司 2024-11-21 WO disclosed
CN-118085062-A Polypeptide derivative serving as GCGR and GLP-1R dual receptor agonist and preparation method and application thereof 南京知和医药科技有限公司 2024-05-28 CN disclosed
CN-116891522-B Long-acting glucagon-like peptide-1 derivative and preparation method and application thereof 南京知和医药科技有限公司 2024-05-14 CN disclosed
CN-116891522-A Long-acting glucagon-like peptide-1 derivative and preparation method and application thereof 南京知和医药科技有限公司 2023-10-17 CN disclosed