SCHEMBL13639535

SCHEMBL13639535

CCC(CC)C1N[C@@H](C(=O)NCCC(O)CO)[C@H](c2cccc(Cl)c2)[C@@]1(N)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 20/20 0.60
MDM4 O15151 1/20 0.60
TP53 P04637 5/20 0.49

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
SCHEMBL12445905 1.00 MDM2 (0.60) MDM2MDM4TP53
SCHEMBL18773039 1.00 MDM2 (0.60) MDM2MDM4TP53
SCHEMBL7948295 0.92 MDM2 (0.61) MDM2MDM4TP53
SCHEMBL7945149 0.88 MDM2 (0.61) MDM2MDM4TP53
SCHEMBL2151916 0.86 MDM2 (0.75) MDM2MDM4TP53
SCHEMBL2151311 0.86 MDM2 (0.75) MDM2MDM4TP53
SCHEMBL7942008 0.86 MDM2 (0.64) MDM2MDM4TP53
SCHEMBL7942477 0.86 MDM2 (0.64) MDM2MDM4TP53
SCHEMBL18772996 0.85 MDM2 (0.76) MDM2MDM4TP53
SCHEMBL7950102 0.83 MDM2 (0.39) MDM2MDM4TP53

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