SCHEMBL28669758

SCHEMBL28669758

CC(C)(C)OC(=O)n1cc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ MDM2 Q00987 7/20 0.45
▸ ADAM17 P78536 1/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29835621 0.94 MDM4 (0.46) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL18619903 0.94 MDM4 (0.46) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL25360978 0.91 SLC17A5 (0.49) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL25360974 0.91 SLC17A5 (0.49) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL28671376 0.91 MEN1 (0.49) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL25362096 0.91 MDM4 (0.46) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL25362094 0.91 MDM4 (0.46) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL31370007 0.91 MDM2 (0.49) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL31210290 0.91 SLC17A5 (0.49) MDM4TP53MDM2ADAM17SLC17A5
SCHEMBL31369786 0.91 MDM2 (0.50) MDM4TP53MDM2ADAM17SLC17A5

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
CN-113861097-A Synthesis method of multi-configuration 1-Boc-N-Fmoc tryptophan compound 苏州爱玛特生物科技有限公司 2021-12-31 — — CN disclosed
Send feedback