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Sugi Predict / Compounds / SCHEMBL16167598

SCHEMBL16167598

SCHEMBL16167598

CC(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)[C@H](CO)NN[C@]1(C)CCC/C=C\CCC[C@@]2(CCCC=CCCCCCC[C@@](C)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NN[C@@H](CC(C)C)C(=O)C(=O)[C@H](CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)NN[C@@H](Cc2ccccc2)C(=O)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 14/20 0.68
▸ MDM4 O15151 10/20 0.68
▸ PCSK9 Q8NBP7 2/20 0.50
▸ EIF4E P06730 1/20 0.48
▸ EIF4EBP1 Q13541 1/20 0.48
▸ RXFP4 Q8TDU9 1/20 0.48
▸ KRAS P01116 1/20 0.48
▸ ESR1 P03372 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
SCHEMBL16167588 0.98 MDM2 (0.64) MDM2MDM4PCSK9EIF4EEIF4EBP1
SCHEMBL18057199 0.94 MDM2 (0.59) MDM2MDM4PCSK9RXFP4
SCHEMBL18057198 0.92 MDM2 (0.56) MDM2MDM4PCSK9RXFP4
SCHEMBL19406735 0.85 MDM2 (0.62) MDM2MDM4PCSK9ESR1
SCHEMBL19406734 0.85 MDM2 (0.67) MDM2MDM4PCSK9EIF4EEIF4EBP1
SCHEMBL16351424 0.84 MDM2 (0.53) MDM2MDM4PCSK9
SCHEMBL15183813 0.83 MDM2 (0.66) MDM2MDM4PCSK9EIF4EEIF4EBP1
SCHEMBL16351425 0.82 MDM4 (0.49) MDM2MDM4PCSK9
SCHEMBL17880430 0.80 MDM2 (0.78) MDM2MDM4PCSK9EIF4EEIF4EBP1
SCHEMBL12297508 0.78 MDM2 (0.58) MDM2MDM4PCSK9EIF4EEIF4EBP1

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
US-8859723-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2014-10-14 — — US disclosed