SCHEMBL4410214

SCHEMBL4410214

O=C(O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 14/20 0.37
KMT2A Q03164 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
DNMT1 P26358 1/20 0.36

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
SCHEMBL4406592 0.89 KIF11 (0.39) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL4406195 0.88 MDM4 (0.39) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL29611191 0.85 KIF11 (0.40) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL29511437 0.85 KIF11 (0.40) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL4409339 0.85 KIF11 (0.40) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL23722969 0.85 KIF11 (0.40) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL31714132 0.85 KIF11 (0.40) KIF11KMT2AFABP7FABP5DNMT1
SCHEMBL7753061 0.83 ALDH1A1 (0.45) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL5863484 0.82 ALDH1A1 (0.50) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL31574130 0.79 POLB (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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