SCHEMBL28486309

SCHEMBL28486309

NCC(O)CNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
MGLL Q99685 3/20 0.36
FAAH O00519 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL2226946 0.91 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10018580 0.83 TLR2 (0.32) MGLL
SCHEMBL10018581 0.82 MGLL (0.38) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14655039 0.81 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15892729 0.81 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12938710 0.80 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15892740 0.79 MGLL (0.35) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15892731 0.78 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL1191235 0.78 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15895162 0.77 MGLL (0.36) PTGS1PTGS2MGLLFAAHALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111920959-B ROS (reactive oxygen species) -responsive heparin polysaccharide nano prodrug compound based on click reaction, nano preparation, and preparation method and application thereof 中国药科大学 2022-03-25 CN claimed
CN-111920959-A ROS (reactive oxygen species) -responsive heparin polysaccharide nano prodrug compound based on click reaction, nano preparation, and preparation method and application thereof 中国药科大学 2020-11-13 CN claimed
CN-111920959-B ROS (reactive oxygen species) -responsive heparin polysaccharide nano prodrug compound based on click reaction, nano preparation, and preparation method and application thereof 中国药科大学 2022-03-25 CN disclosed
CN-111920959-A ROS (reactive oxygen species) -responsive heparin polysaccharide nano prodrug compound based on click reaction, nano preparation, and preparation method and application thereof 中国药科大学 2020-11-13 CN disclosed