SCHEMBL19672964

SCHEMBL19672964

N#CCOC(=O)NCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTH P32929 1/20 0.30
PREP P48147 2/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL27034780 0.80 ZDHHC20 (0.40) ZDHHC20ZDHHC2MCL1
SCHEMBL16447016 0.79 EGLN1 (0.38) EGLN1ZDHHC20SLC1A3SLC1A2SLC1A1
SCHEMBL9697722 0.77
SCHEMBL9353138 0.76 EGLN1 (0.36) EGLN1ALDH1A1LMNAMAPTPTGS2
SCHEMBL27749676 0.72 CYP2D6 (0.43) ZDHHC20ZDHHC2CTSLCTSBCTSS
SCHEMBL10877026 0.71
SCHEMBL25208944 0.71 EGLN1 (0.42) EGLN1ALDH1A1LMNAMAPTPTGS2
SCHEMBL2220618 0.71 EGLN1 (0.42) EGLN1ALDH1A1LMNAMAPTPTGS2
SCHEMBL1912605 0.71 EGLN1 (0.63) EGLN1ALDH1A1LMNAMAPTPTGS2
SCHEMBL3097747 0.71 LDHA (0.36) ZDHHC20ZDHHC2SLC1A3SLC1A2SLC1A1

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
EP-2203498-B1 OLIGOFLUORINATED CROSS-LINKED POLYMERS AND USES THEREOF INTERFACE BIOLOGICS INC (CA) 2017-12-06 EP disclosed