SCHEMBL24579349

SCHEMBL24579349

C=CCOC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ EPHX2 P34913 1/20 0.38
▸ CASP3 P42574 4/20 0.37
▸ FABP5 Q01469 3/20 0.37
▸ FABP7 O15540 2/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL30640781 1.00 KMT2A (0.40) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL24579145 0.89 KMT2A (0.35) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL30861942 0.89 KMT2A (0.35) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL24579143 0.89 KMT2A (0.35) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL24579183 0.87 KMT2A (0.36) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL26605887 0.87 KMT2A (0.36) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL24580454 0.86 KMT2A (0.40) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL30640762 0.86 KMT2A (0.35) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL24579261 0.86 KMT2A (0.40) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL24580460 0.86 KMT2A (0.35) KMT2AEPHX2CASP3FABP5FABP7

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
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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