SCHEMBL13639544

SCHEMBL13639544

CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCCCCO)[C@H](c2cccc(Cl)c2)C1N

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 20/20 0.55
TP53 P04637 3/20 0.55
MDM4 O15151 2/20 0.43

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
SCHEMBL13639652 1.00 MDM2 (0.55) MDM2TP53MDM4
SCHEMBL13639579 0.87 MDM2 (0.57) MDM2TP53MDM4
SCHEMBL13639638 0.87 MDM2 (0.57) MDM2TP53MDM4
SCHEMBL13639569 0.82 MDM2 (0.39) MDM2TP53MDM4
SCHEMBL13639599 0.77 MDM2 (0.46) MDM2TP53MDM4
SCHEMBL7950362 0.75 MDM2 (0.75) MDM2TP53MDM4
SCHEMBL7951910 0.74 TP53 (0.43) MDM2TP53
SCHEMBL7952480 0.73 MDM2 (0.63) MDM2TP53MDM4
SCHEMBL18772873 0.73 MDM2 (0.59) MDM2TP53MDM4
SCHEMBL18772871 0.73 MDM2 (0.72) MDM2TP53MDM4

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
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed