SCHEMBL29634844

SCHEMBL29634844

CC(C)(C)OC(=O)c1cn(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)nn1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.73
TP53 P04637 3/20 0.73
MDM2 Q00987 7/20 0.63
CASP3 P42574 1/20 0.42
SLC17A5 Q9NRA2 1/20 0.41

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
SCHEMBL22636132 1.00 MDM4 (0.73) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL22636131 1.00 MDM4 (0.73) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL24709142 0.85 MDM4 (0.66) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL26195494 0.85 MDM4 (0.66) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL21642998 0.81 MDM4 (0.76) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31757458 0.81 MDM4 (0.76) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL21642999 0.81 MDM4 (0.76) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31000555 0.78 MDM4 (0.49) MDM4TP53MDM2CASP3
SCHEMBL25360268 0.78 MDM4 (0.49) MDM4TP53MDM2CASP3
SCHEMBL25360258 0.78 MDM4 (0.49) MDM4TP53MDM2CASP3

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-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 CN disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed