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Sugi Predict / Compounds / SCHEMBL29972035

SCHEMBL29972035

SCHEMBL29972035

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@]1(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]2(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 15/20 0.72
▸ MDM4 O15151 13/20 0.72
▸ PCSK9 Q8NBP7 2/20 0.67
▸ ESR1 P03372 2/20 0.63
▸ ESR2 Q92731 1/20 0.63
▸ TP53 P04637 1/20 0.62
▸ ACE2 Q9BYF1 1/20 0.61

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
Sulanemadlin SCHEMBL29372019 0.80 MDM2 (1.00) MDM2MDM4PCSK9TP53
SCHEMBL17884324 0.76 MDM2 (0.71) MDM2MDM4PCSK9ACE2
SCHEMBL29468183 0.74 MDM2 (0.93) MDM2MDM4PCSK9
SCHEMBL17880429 0.74 MDM2 (0.71) MDM2MDM4PCSK9ESR1ESR2
SCHEMBL19406552 0.74 MDM2 (0.76) MDM2MDM4PCSK9TP53
SCHEMBL18619948 0.73 MDM2 (0.73) MDM2MDM4PCSK9TP53
SCHEMBL18619747 0.72 MDM2 (0.66) MDM2MDM4PCSK9TP53
SCHEMBL18619683 0.72 MDM2 (0.74) MDM2MDM4PCSK9TP53
SCHEMBL18618681 0.72 MDM2 (0.77) MDM2MDM4PCSK9TP53
SCHEMBL18620908 0.72 MDM2 (0.69) MDM2MDM4PCSK9TP53

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
WO-2024148866-A1 DATA PROCESSING METHOD AND APPARATUS, ELECTRONIC DEVICE, AND NONVOLATILE READABLE STORAGE MEDIUM 苏州元脑智能科技有限公司 2024-07-18 — — WO disclosed
CN-115933994-A Data processing method and device, electronic equipment and storage medium 苏州浪潮智能科技有限公司 2023-04-07 — — CN disclosed
CN-111414317-B IO request processing method, device, equipment and readable storage medium 苏州浪潮智能科技有限公司 2022-11-25 — — CN disclosed