SCHEMBL29792372

SCHEMBL29792372

CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.55
TLR2 O60603 2/20 0.54
MDM4 O15151 2/20 0.53
TP53 P04637 2/20 0.53
CASP3 P42574 1/20 0.49
SLC17A5 Q9NRA2 1/20 0.48
TNF P01375 1/20 0.47

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
SCHEMBL178744 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
SCHEMBL29374829 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
SCHEMBL30649315 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
SCHEMBL29352017 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
SCHEMBL29768913 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
SCHEMBL29792120 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
SCHEMBL117964 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
SCHEMBL120511 1.00 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
Water SCHEMBL22070159 0.99 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3
Water SCHEMBL31472478 0.99 MDM2 (0.55) MDM2TLR2MDM4TP53CASP3

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-108136043-B Protein conjugates 诺和诺德股份有限公司 2022-09-06 CN disclosed