SCHEMBL3358161

SCHEMBL3358161

C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.50
PTGS1 P23219 1/20 0.47
GSTK1 Q9Y2Q3 1/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44

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
SCHEMBL5685928 0.94 GLO1 (0.46) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL7575574 0.92 GLO1 (0.44) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL3358182 0.91 GLO1 (0.48) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL30352475 0.90 FOLH1 (0.46) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL17083278 0.89 GLO1 (0.43) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL29714782 0.88 GLO1 (0.48) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL7575589 0.87 GLO1 (0.44) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL17283446 0.87 ALDH1A1 (0.47) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL29410682 0.87 ALDH1A1 (0.47) GLO1PTGS1GSTK1ALDH1A1LMNA
SCHEMBL31734740 0.86 BMP1 (0.44) GLO1GABRPGABRDGABRA1GABRB1

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-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 EP disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 WO disclosed