SCHEMBL8434776

SCHEMBL8434776

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
ECE1 P42892 4/20 0.35
GLO1 Q04760 1/20 0.35
QRFPR Q96P65 4/20 0.34
ITGB3 P05106 3/20 0.33
ITGB1 P05556 3/20 0.33
ITGAV P06756 3/20 0.33
ITGA5 P08648 3/20 0.33
MDM4 O15151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP8 P22894 1/20 0.33
MDM2 Q00987 2/20 0.33
TERT O14746 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

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
SCHEMBL8046861 1.00 PTGS1 (0.39) PTGS1GSTK1ECE1GLO1QRFPR
SCHEMBL29591926 1.00 PTGS1 (0.39) PTGS1GSTK1ECE1GLO1QRFPR
SCHEMBL8722673 1.00 PTGS1 (0.39) PTGS1GSTK1ECE1GLO1QRFPR
SCHEMBL1474872 0.99 PTGS1 (0.40) PTGS1GSTK1ECE1GLO1QRFPR
SCHEMBL7996840 0.99 PTGS1 (0.40) PTGS1GSTK1ECE1GLO1QRFPR
SCHEMBL9096940 0.97 PTGS1 (0.39) PTGS1GSTK1ECE1GLO1QRFPR
SCHEMBL18396457 0.97 PTGS1 (0.41) PTGS1GSTK1ECE1GLO1ITGB3
SCHEMBL6130183 0.97 PTGS1 (0.41) PTGS1GSTK1ECE1GLO1ITGB3
SCHEMBL8436887 0.97 PTGS1 (0.41) PTGS1GSTK1ECE1GLO1ITGB3
SCHEMBL6823837 0.97 PTGS1 (0.41) PTGS1GSTK1ECE1GLO1ITGB3

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-6001592-A CDNA CODING FOR A NOVEL POLYPEPTIDE MIKIMOTO PHARMACEUTICAL CO., LTD. (JP) 1999-12-14 US disclosed