SCHEMBL20825600

SCHEMBL20825600

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ EPHX2 P34913 1/20 0.52
▸ CASP3 P42574 4/20 0.49
▸ FABP5 Q01469 3/20 0.45
▸ FABP7 O15540 2/20 0.45
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL19358192 0.89 KMT2A (0.59) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL28528205 0.88 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL13712371 0.82 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL7408626 0.82 KMT2A (0.49) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL5575214 0.81 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL411680 0.80 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL29728458 0.80 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL31173373 0.80 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL4612352 0.80 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL7267676 0.80 KMT2A (0.56) 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-2019052545-A1 CYCLIC PEPTIDE ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-21 — — WO disclosed
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