SCHEMBL29460482

SCHEMBL29460482

COc1ccc(C(SCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.54
KIF11 P52732 5/20 0.53
MDM4 O15151 3/20 0.53
TP53 P04637 3/20 0.53
SLC17A5 Q9NRA2 1/20 0.46
CASP3 P42574 1/20 0.45
TLR2 O60603 2/20 0.44

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
SCHEMBL6273699 1.00 MDM2 (0.54) MDM2KIF11MDM4TP53SLC17A5
SCHEMBL21639223 1.00 MDM2 (0.54) MDM2KIF11MDM4TP53SLC17A5
SCHEMBL29400885 1.00 MDM2 (0.54) MDM2KIF11MDM4TP53SLC17A5
SCHEMBL29395463 0.92 MDM4 (0.55) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29560536 0.92 MDM4 (0.55) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL1738641 0.92 MDM4 (0.55) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL5998507 0.92 MDM4 (0.55) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL3436122 0.92 MDM4 (0.55) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL29503847 0.92 MDM4 (0.55) MDM2MDM4TP53SLC17A5CASP3
SCHEMBL12127262 0.92 KIF11 (0.51) MDM2KIF11MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
CN-115490756-A Method for preparing eptifibatide by solid-liquid phase combination 深圳市健翔生物制药有限公司 2022-12-20 CN disclosed
CN-112062811-B Synthetic method of vilacatide 深圳翰宇药业股份有限公司 2022-03-25 CN disclosed