SCHEMBL6863995

SCHEMBL6863995

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.45
PTGS1 P23219 1/20 0.45
GSTK1 Q9Y2Q3 1/20 0.45
BMP1 P13497 1/20 0.40
QRFPR Q96P65 5/20 0.34
TERT O14746 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL6863985 0.92 GLO1 (0.47) GLO1PTGS1GSTK1BMP1TERT
SCHEMBL6863991 0.92 GLO1 (0.47) GLO1PTGS1GSTK1BMP1TERT
SCHEMBL2804512 0.91 GLO1 (0.49) GLO1PTGS1GSTK1BMP1DPP4
SCHEMBL8494001 0.91 GLO1 (0.49) GLO1PTGS1GSTK1BMP1DPP4
SCHEMBL29350792 0.90 GLO1 (0.48) GLO1PTGS1GSTK1BMP1TERT
SCHEMBL8436887 0.86 PTGS1 (0.41) GLO1PTGS1GSTK1TERTALDH1A1
SCHEMBL18396457 0.86 PTGS1 (0.41) GLO1PTGS1GSTK1TERTALDH1A1
SCHEMBL7257306 0.86 PTGS1 (0.41) GLO1PTGS1GSTK1TERTALDH1A1
SCHEMBL6130183 0.86 PTGS1 (0.41) GLO1PTGS1GSTK1TERTALDH1A1
SCHEMBL6675010 0.86 PTGS1 (0.41) GLO1PTGS1GSTK1TERTALDH1A1

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
US-6799121-B2 AUTOMATIC PROCESS YORK UNIVERSITY (CA) 2004-09-28 US disclosed
US-20020001814-A1 Sequencing of peptides by mass spectrometry YORK UNIVERSITY 2002-01-03 US disclosed