SCHEMBL13227979

SCHEMBL13227979

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ MDM4 O15151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ MDM2 Q00987 3/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ TLR2 O60603 2/20 0.44

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
SCHEMBL27081455 0.86 CASP3 (0.53) CASP3KMT2AMDM4TP53MDM2
SCHEMBL7604717 0.86 CASP3 (0.54) CASP3KMT2AMDM4TP53MDM2
SCHEMBL119338 0.86 CASP3 (0.60) CASP3KMT2AMDM4TP53MDM2
SCHEMBL119534 0.86 CASP3 (0.60) CASP3KMT2AMDM4TP53MDM2
SCHEMBL27081834 0.84 CASP3 (0.52) CASP3KMT2AMDM4TP53MDM2
SCHEMBL119273 0.83 CASP3 (0.54) CASP3KMT2AMDM4TP53MDM2
SCHEMBL119042 0.83 CASP3 (0.54) CASP3KMT2AMDM4TP53MDM2
SCHEMBL30191464 0.82 MDM4 (0.60) CASP3KMT2AMDM4TP53MDM2
SCHEMBL13209783 0.82 MDM4 (0.60) CASP3KMT2AMDM4TP53MDM2
SCHEMBL8653790 0.81 MDM4 (0.59) CASP3KMT2AMDM4TP53MDM2

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
US-7785825-B2 Compositions and methods for dehydration and cyclization of peptides, synthetic compounds, and lantibiotics THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-08-31 — — US disclosed
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