SCHEMBL28975484

SCHEMBL28975484

CN(CCC(=O)CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
CASP3 P42574 4/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL7853751 0.92 KMT2A (0.55) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL29989813 0.92 KMT2A (0.55) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL29670230 0.85 KMT2A (0.56) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL6136463 0.85 KMT2A (0.56) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL13329984 0.84 KMT2A (0.58) KMT2AFABP5FABP7CASP3EPHX2
Succinic Acid SCHEMBL27739367 0.83 KMT2A (0.48) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL5148054 0.83 KMT2A (0.60) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL29397325 0.82 KMT2A (0.48) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL12665926 0.82 KMT2A (0.46) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL119579 0.82 KMT2A (0.48) KMT2AFABP5FABP7CASP3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702026-A Macrocyclic compounds and methods of use thereof 基因泰克公司 2023-02-14 CN disclosed