SCHEMBL1808079

SCHEMBL1808079

C=CC[C@H](C)[C@@H](C(=O)OC)N1C(=O)c2ccccc2C1=O.C=C[Mg]Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.40
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL1808581 1.00 TP53 (0.43) TP53ALDH1A1MAPTPLAUELANE
SCHEMBL17237482 1.00 TP53 (0.43) TP53ALDH1A1MAPTPLAUELANE
SCHEMBL1808319 0.93 TP53 (0.45) TP53ALDH1A1PLAUELANENPSR1
SCHEMBL1812413 0.93 TP53 (0.45) TP53ALDH1A1PLAUELANENPSR1
SCHEMBL11929781 0.93 TP53 (0.45) TP53ALDH1A1PLAUELANENPSR1
SCHEMBL1810083 0.93 TP53 (0.45) TP53ALDH1A1PLAUELANENPSR1
SCHEMBL1811054 0.93 TP53 (0.45) TP53ALDH1A1PLAUELANENPSR1
SCHEMBL11929784 0.76 TP53 (0.48) TP53ALDH1A1PLAUELANENPSR1
SCHEMBL17237483 0.76 TP53 (0.48) TP53ALDH1A1PLAUELANENPSR1
SCHEMBL14445468 0.76 ALDH1A1 (0.46) TP53ALDH1A1MAPTNPSR1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493843-A1 2-AMINO-3-METHYL-HEX-5-ENOIC ACID AND ITS USE IN THE PRODUCTION OF PEPTIDES SUCH AS BACITRACINS Xellia Pharmaceuticals ApS (DK) 2012-09-05 EP disclosed
WO-2011051071-A1 2-AMINO-3-METHYL-HEX-5-ENOIC ACID AND ITS USE IN THE PRODUCTION OF PEPTIDES SUCH AS BACITRACINS XELLIA PHARMACEUTICALS APS (DK) 2011-05-05 WO disclosed