SCHEMBL29557307

SCHEMBL29557307

COc1ccccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.52
TP53 P04637 3/20 0.52
MDM2 Q00987 3/20 0.51
CASP3 P42574 2/20 0.50
FABP5 Q01469 1/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
TLR2 O60603 2/20 0.48
SLC17A5 Q9NRA2 1/20 0.47
TNF P01375 1/20 0.46

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
SCHEMBL22444637 1.00 MDM4 (0.52) MDM4TP53MDM2CASP3FABP5
SCHEMBL29855217 1.00 MDM4 (0.52) MDM4TP53MDM2CASP3FABP5
SCHEMBL17054258 1.00 MDM4 (0.52) MDM4TP53MDM2CASP3FABP5
SCHEMBL17054257 0.92 FABP5 (0.48) MDM4TP53MDM2CASP3FABP5
SCHEMBL22444747 0.89 MDM2 (0.54) MDM4TP53MDM2CASP3FABP5
SCHEMBL29221361 0.89 MDM2 (0.50) MDM4TP53MDM2CASP3FABP5
SCHEMBL29221362 0.89 MDM2 (0.50) MDM4TP53MDM2CASP3FABP5
SCHEMBL38666359 0.89 MDM2 (0.53) MDM4TP53MDM2CASP3ALDH1A1
SCHEMBL30819623 0.88 MDM4 (0.48) MDM4TP53MDM2CASP3FABP5
SCHEMBL27393663 0.88 MDM4 (0.48) MDM4TP53MDM2CASP3FABP5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
EP-4135738-A2 METHOD OF TREATING CORONAVIRUS INFECTIONS Cohbar Inc. (US) 2023-02-22 EP disclosed
EP-4058465-A1 CXCR4 ANTAGONIST PEPTIDES Cohbar Inc. (US) 2022-09-21 EP disclosed
CN-114269367-A Therapeutic peptides 科巴公司 2022-04-01 CN disclosed