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SCHEMBL25831123

SCHEMBL25831123

CC(C)C[C@@H](NC(=O)C1(C)CCCCCCCCC(C)(NC(=O)[C@@H](C)NC(=O)CCc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N1)C(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 9/20 0.57
▸ MDM4 O15151 8/20 0.57
▸ TP53 P04637 1/20 0.56
▸ YWHAZ P63104 4/20 0.53
▸ ESR1 P03372 3/20 0.52
▸ EIF4E P06730 1/20 0.51
▸ EIF4EBP1 Q13541 1/20 0.51
▸ PCSK9 Q8NBP7 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ ACE2 Q9BYF1 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
SCHEMBL25831036 1.00 MDM2 (0.57) MDM2MDM4TP53YWHAZESR1
SCHEMBL25830932 0.83 MDM2 (0.68) MDM2MDM4TP53PCSK9
SCHEMBL25831288 0.82 MDM2 (0.67) MDM2MDM4TP53ESR1PCSK9
SCHEMBL25831207 0.81 MDM2 (0.61) MDM2MDM4TP53ESR1EIF4E
SCHEMBL20694359 0.64 EIF4E (0.56) MDM2MDM4ESR1EIF4EEIF4EBP1
SCHEMBL24473539 0.62 NTSR2 (0.61) ESR1EIF4EEIF4EBP1ESR2ACE2
SCHEMBL26420961 0.62 EIF4E (0.61) MDM2ESR1EIF4EEIF4EBP1PCSK9
SCHEMBL24919449 0.61 EIF4E (0.61) MDM2ESR1EIF4EEIF4EBP1PCSK9
SCHEMBL24473602 0.60 NTSR2 (0.71) EIF4EEIF4EBP1
SCHEMBL24473663 0.59 NTSR2 (0.61) EIF4EEIF4EBP1ACE2

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
WO-2023107353-A2 P53 PEPTIDOMIMETIC MACROCYCLES MERCK SHARP & DOHME LLC (US) 2023-06-15 — — WO disclosed