SCHEMBL9947502

SCHEMBL9947502

CN[C@H](C)C(=O)N[C@@H](C)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
BIRC2 Q13490 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 4/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 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
SCHEMBL12890756 1.00 CA14 (0.45) CA14MEN1KMT2ABIRC2LMNA
SCHEMBL12890766 1.00 CA14 (0.45) CA14MEN1KMT2ABIRC2LMNA
SCHEMBL13165094 1.00 CA14 (0.45) CA14MEN1KMT2ABIRC2LMNA
SCHEMBL709174 0.83
SCHEMBL238192 0.83
SCHEMBL801212 0.83
SCHEMBL14521614 0.81 CA14 (0.48) CA14MEN1KMT2ABIRC2LMNA
SCHEMBL13912232 0.81 CA14 (0.48) CA14MEN1KMT2ABIRC2LMNA
SCHEMBL13912228 0.81 CA14 (0.48) CA14MEN1KMT2ABIRC2LMNA
SCHEMBL29732165 0.81 CA14 (0.42) CA14MEN1KMT2ABIRC2LMNA

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
US-20120149836-A1 METHOD FOR THE PREPARATION OF HIGH MOLECULAR WEIGHT OLIGO(ALKYLENE GLYCOL) FUNCTIONALIZED POLYISOCYANOPEPTIDES STICHTING KATHOLIEKE UNIVERSITEIT MEER IN HET BIJZONDER RADBOUD UNIVERSITEIT NIJMEGEN (NL) 2012-06-14 US disclosed