SCHEMBL29818551

SCHEMBL29818551

CC(C)(C)[Si](C)(C)OCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MDM2 Q00987 7/20 0.51
▸ TLR2 O60603 2/20 0.50
▸ CASP3 P42574 1/20 0.48
▸ SLC17A5 Q9NRA2 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
SCHEMBL21404824 0.94 MDM2 (0.54) MDM4TP53MDM2TLR2CASP3
SCHEMBL18795317 0.94 MDM2 (0.54) MDM4TP53MDM2TLR2CASP3
SCHEMBL29401864 0.90 MDM4 (0.55) MDM4TP53MDM2TLR2CASP3
SCHEMBL19899314 0.90 MDM4 (0.55) MDM4TP53MDM2TLR2CASP3
SCHEMBL30191422 0.90 MDM4 (0.55) MDM4TP53MDM2TLR2CASP3
SCHEMBL31165326 0.90 MDM4 (0.55) MDM4TP53MDM2TLR2CASP3
SCHEMBL31000735 0.90 MDM4 (0.55) MDM4TP53MDM2TLR2CASP3
SCHEMBL13611972 0.90 MDM4 (0.55) MDM4TP53MDM2TLR2CASP3
SCHEMBL20546469 0.89 MDM4 (0.53) MDM4TP53MDM2TLR2CASP3
SCHEMBL17981392 0.89 MDM4 (0.53) MDM4TP53MDM2TLR2CASP3

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-3337791-B1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF UNIV HEALTH NETWORK (CA) 2022-08-03 — — EP disclosed
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