SCHEMBL8350965

SCHEMBL8350965

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.52
▸ MDM2 Q00987 1/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ TLR2 O60603 1/20 0.45
▸ TLR1 Q15399 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
SCHEMBL29511158 1.00 CASP3 (0.52) CASP3MDM2IDO1KMT2AMDM4
SCHEMBL13163967 0.91 CASP3 (0.57) CASP3MDM2KMT2AMDM4TP53
SCHEMBL29361981 0.91 CASP3 (0.57) CASP3MDM2KMT2AMDM4TP53
SCHEMBL29386346 0.91 CASP3 (0.57) CASP3MDM2KMT2AMDM4TP53
SCHEMBL7423417 0.91 CASP3 (0.57) CASP3MDM2KMT2AMDM4TP53
SCHEMBL29423514 0.91 CASP3 (0.57) CASP3MDM2KMT2AMDM4TP53
SCHEMBL2313063 0.91 CASP3 (0.57) CASP3MDM2KMT2AMDM4TP53
SCHEMBL7326541 0.89 KMT2A (0.49) CASP3MDM2IDO1KMT2AMDM4
SCHEMBL28624889 0.89 KMT2A (0.49) CASP3MDM2IDO1KMT2AMDM4
SCHEMBL28627067 0.89 KMT2A (0.49) CASP3MDM2IDO1KMT2AMDM4

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-6008058-A SYNTHESIZING AND SCREENING CYCLIC PEPTIDE LIBRARIES UNIVERSITY OF LOUISVILLE (US) 1999-12-28 — — US disclosed
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