SCHEMBL28700228

SCHEMBL28700228

NC(=O)CC(N)C(=O)N1C[C@H](O)C[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.39
▸ FABP7 O15540 2/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ EPHX2 P34913 1/20 0.33
▸ ACE P12821 2/20 0.33
▸ DPP8 Q6V1X1 2/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ VHL P40337 2/20 0.33

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
SCHEMBL28700225 1.00 FABP5 (0.39) FABP5FABP7KMT2APIN1EPHX2
SCHEMBL30231676 0.86 FABP5 (0.35) FABP5FABP7KMT2APIN1EPHX2
SCHEMBL22892703 0.81 MDM2 (0.40) KMT2APIN1
SCHEMBL28708945 0.81 MDM2 (0.40) KMT2APIN1
SCHEMBL25817017 0.78 MDM4 (0.44) KMT2APIN1CASP3
SCHEMBL30262995 0.78 MDM4 (0.44) KMT2APIN1CASP3
SCHEMBL29402078 0.78 MDM4 (0.44) KMT2APIN1CASP3
SCHEMBL8247701 0.76 CYP19A1 (0.39) FABP5FABP7KMT2AEPHX2DPP8
SCHEMBL22892445 0.76 POLB (0.45) FABP5FABP7KMT2AEPHX2
SCHEMBL30856517 0.76 CYP19A1 (0.39) FABP5FABP7KMT2AEPHX2DPP8

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-114080395-A Synthesis method of alpha-amanitine and derivatives thereof 纯生物有机有限公司 2022-02-22 — — CN disclosed
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