SCHEMBL4406592

SCHEMBL4406592

CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
DNMT1 P26358 1/20 0.37

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
SCHEMBL4406195 0.91 MDM4 (0.39) KIF11MDM4TP53KMT2AFABP7
SCHEMBL4410214 0.89 ALDH1A1 (0.39) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL23722969 0.88 KIF11 (0.40) KIF11MDM4TP53KMT2AFABP7
SCHEMBL31714132 0.88 KIF11 (0.40) KIF11MDM4TP53KMT2AFABP7
SCHEMBL4409339 0.88 KIF11 (0.40) KIF11MDM4TP53KMT2AFABP7
SCHEMBL29611191 0.88 KIF11 (0.40) KIF11MDM4TP53KMT2AFABP7
SCHEMBL29511437 0.88 KIF11 (0.40) KIF11MDM4TP53KMT2AFABP7
SCHEMBL4416195 0.85 MDM4 (0.42) MDM4TP53KMT2A
SCHEMBL4416199 0.85 MDM4 (0.42) MDM4TP53KMT2A
SCHEMBL31370691 0.82 KIF11 (0.52) KIF11MDM4TP53FABP5DNMT1

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-2085403-A1 PROCESS FOR PRODUCTION OF PEPTIDE THIOESTER TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2009-08-05 EP disclosed