SCHEMBL19696601

SCHEMBL19696601

NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C=O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ GSTK1 Q9Y2Q3 1/20 0.38
▸ F10 P00742 1/20 0.34
▸ FOLH1 Q04609 2/20 0.34
▸ RIMKLA Q8IXN7 1/20 0.34
▸ NAALAD2 Q9Y3Q0 1/20 0.34
▸ BMP1 P13497 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ CCKBR P32239 2/20 0.33
▸ GNPAT O15228 1/20 0.31

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
SCHEMBL22731832 1.00 GLO1 (0.39) GLO1PTGS1GSTK1F10FOLH1
SCHEMBL22111148 0.86 GLO1 (0.49) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL32670748 0.86 GLO1 (0.49) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL16181956 0.84 CTSC (0.39) FOLH1RIMKLANAALAD2
SCHEMBL22731801 0.84 CTSC (0.39) FOLH1RIMKLANAALAD2
SCHEMBL29768848 0.84 CTSC (0.39) FOLH1RIMKLANAALAD2
SCHEMBL2804509 0.83 PTGS1 (0.51) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL29050824 0.83 PTGS1 (0.51) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL31479995 0.82 FOLH1 (0.47) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL29742944 0.82 FOLH1 (0.47) GLO1PTGS1GSTK1FOLH1RIMKLA

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-9840537-B2 Selective delivery molecules and methods of use AVELAS BIOSCIENCES, INC. (US) 2017-12-12 — — US disclosed
Send feedback