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SCHEMBL20764450

SCHEMBL20764450

CC(C)Oc1c(Nc2ccc(NC[C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)ccc(Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.35
▸ MDM4 O15151 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ TLR2 O60603 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL20764502 0.87 CASP3 (0.42) CASP3MDM4TP53TLR2EPHX2
SCHEMBL20764509 0.79 MDM4 (0.35) CASP3MDM4TP53TLR2
SCHEMBL20764508 0.79 MDM4 (0.35) CASP3MDM4TP53TLR2
SCHEMBL20764467 0.74 MDM4 (0.43) CASP3MDM4TP53TLR2EPHX2
SCHEMBL20764469 0.74 MDM4 (0.43) CASP3MDM4TP53TLR2EPHX2
SCHEMBL29402067 0.74 CASP3 (0.47) CASP3MDM4TP53EPHX2KMT2A
SCHEMBL20764453 0.72 CASP1 (0.34) CASP3MDM4TP53TLR2
SCHEMBL20764454 0.72 CASP1 (0.34) CASP3MDM4TP53TLR2
SCHEMBL8227141 0.70 MDM4 (0.50) CASP3MDM4TP53TLR2KMT2A
SCHEMBL12292666 0.70 MDM4 (0.50) CASP3MDM4TP53TLR2KMT2A

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
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO disclosed
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