SCHEMBL20530570

SCHEMBL20530570

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 7/20 0.58
▸ MDM4 O15151 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ TLR2 O60603 2/20 0.54
▸ CASP3 P42574 2/20 0.52
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL16463752 1.00 MDM2 (0.58) MDM2MDM4TP53TLR2CASP3
SCHEMBL4600023 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL30278748 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL30854537 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL4600019 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL25362302 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL8892538 0.93 MDM2 (0.60) MDM2MDM4TP53TLR2CASP3
SCHEMBL8893047 0.93 MDM2 (0.60) MDM2MDM4TP53TLR2CASP3
SCHEMBL15681926 0.93 MDM4 (0.59) MDM2MDM4TP53TLR2CASP3
SCHEMBL389249 0.93 MDM4 (0.59) MDM2MDM4TP53TLR2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 — — CN disclosed
EP-3388444-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF F. Hoffmann-La Roche AG (CH) 2018-10-17 — — EP disclosed
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