SCHEMBL2367217

SCHEMBL2367217

CC(C)(C)OC(=O)Nc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.56
▸ EPHX2 P34913 1/20 0.53
▸ ACE P12821 1/20 0.49
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ ITGB3 P05106 3/20 0.45
▸ ITGAV P06756 3/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ FPR2 P25090 1/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.43

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
SCHEMBL31369581 0.91 MDM2 (0.57) MDM2EPHX2ACEMDM4TP53
SCHEMBL31369804 0.91 MDM2 (0.58) MDM2EPHX2MDM4TP53CTSS
SCHEMBL3728072 0.90 MDM2 (0.62) MDM2EPHX2ACEMDM4TP53
SCHEMBL14039181 0.90 MDM2 (0.62) MDM2EPHX2ACEMDM4TP53
SCHEMBL29445607 0.90 MDM2 (0.62) MDM2EPHX2ACEMDM4TP53
SCHEMBL29401511 0.90 MDM2 (0.62) MDM2EPHX2ACEMDM4TP53
SCHEMBL2307978 0.90 MDM2 (0.62) MDM2EPHX2ACEMDM4TP53
SCHEMBL30340155 0.89 MDM2 (0.48) MDM2EPHX2ACEMDM4TP53
SCHEMBL23042774 0.87 ACE (0.49) MDM2ACEMDM4TP53CTSB
SCHEMBL29687511 0.87 ACE (0.49) MDM2ACEMDM4TP53CTSB

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
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 — — EP disclosed
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