SCHEMBL29047045

SCHEMBL29047045

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CASP3 P42574 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ EPHX2 P34913 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
SCHEMBL12677569 0.91 MDM4 (0.49) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL29367497 0.91 MDM4 (0.56) MDM4TP53CASP3
SCHEMBL29624621 0.91 MDM4 (0.56) MDM4TP53CASP3
SCHEMBL119575 0.91 MDM4 (0.56) MDM4TP53CASP3
SCHEMBL119565 0.91 MDM4 (0.56) MDM4TP53CASP3
SCHEMBL29355082 0.91 MDM4 (0.56) MDM4TP53CASP3
SCHEMBL598209 0.91 MDM4 (0.56) MDM4TP53CASP3
SCHEMBL30802551 0.91 MDM4 (0.56) MDM4TP53CASP3
Fluoride SCHEMBL7155195 0.90 MDM4 (0.55) MDM4TP53CASP3
SCHEMBL6987530 0.90 MDM4 (0.48) MDM4TP53CASP3KMT2AEPHX2

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-114380880-B Fmoc-amino acid modified 20 (S) -protopanoxadiol derivative and preparation method and application thereof 吉林大学 2023-06-23 — — CN disclosed
Send feedback