SCHEMBL8350968

SCHEMBL8350968

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.53
▸ MDM2 Q00987 1/20 0.51
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CASP3 P42574 2/20 0.48
▸ TNF P01375 2/20 0.47
▸ PPARA Q07869 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45

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
SCHEMBL29401813 1.00 IDO1 (0.53) IDO1MDM2MDM4TP53CASP3
SCHEMBL29400614 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL30261869 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL30648981 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL872021 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL3722284 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL46349 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL29362906 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL29357117 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3
SCHEMBL29460393 0.91 MDM4 (0.55) IDO1MDM2MDM4TP53CASP3

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
US-20200407712-A1 ARRAY-BASED CYCLIC PEPTIDE LIBRARIES Cowper Sciences Inc. 2020-12-31 — — US disclosed
EP-3749676-A1 ARRAY-BASED CYCLIC PEPTIDE LIBRARIES Healthtell Inc. (US) 2020-12-16 — — EP disclosed
WO-2019157362-A1 ARRAY-BASED CYCLIC PEPTIDE LIBRARIES HEALTHTELL INC. (US) 2019-08-15 — — WO disclosed
US-6008058-A SYNTHESIZING AND SCREENING CYCLIC PEPTIDE LIBRARIES UNIVERSITY OF LOUISVILLE (US) 1999-12-28 — — US disclosed
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