SCHEMBL27704397

SCHEMBL27704397

NC(CCC(=O)O)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX2 P34913 1/20 0.41
CASP3 P42574 2/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
SCHEMBL27587693 1.00 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL27704394 1.00 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL30749159 0.92 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
SCHEMBL20586907 0.88 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL1808220 0.88 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL1001837 0.87 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL97175 0.87 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL27724921 0.86 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL27724920 0.86 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL30492079 0.86 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111148752-B Peptide derivatives and pharmaceutical compositions containing the same 国立大学法人德岛大学 2024-01-16 CN disclosed
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed
CN-108779146-B Peptide derivatives and uses thereof 东丽株式会社 2022-03-18 CN disclosed
CN-111148752-A Peptide derivatives and pharmaceutical compositions containing the same 国立大学法人德岛大学 2020-05-12 CN disclosed
CN-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 CN disclosed
CN-101189253-A Antiinfective lipopeptides CUBIST PHARM INC (US) 2008-05-28 CN disclosed