SCHEMBL7300740

SCHEMBL7300740

N=C(NC(=O)OCc1ccccc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
CASP1 P29466 1/20 0.49
PLA2G4B P0C869 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PTPN7 P35236 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN12 Q05209 1/20 0.47
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
SRD5A2 P31213 1/20 0.45
FFAR1 O14842 1/20 0.44

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
SCHEMBL7292456 0.86 HTT (0.52) MAPTNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL7302421 0.85 PPARA (0.55) MAPTL3MBTL1FFAR1
SCHEMBL8180158 0.85 MAPT (0.49) MAPTTP53NR4A1NR4A2NR4A3
SCHEMBL14367308 0.85 L3MBTL1 (0.55) MAPTTP53PLA2G4BMEN1ALDH1A1
SCHEMBL7297510 0.84 PPARA (0.54) MAPTL3MBTL1FFAR1HDAC8
SCHEMBL7302236 0.84 PPARA (0.54) MAPTL3MBTL1FFAR1HDAC8
SCHEMBL8174116 0.84 MAPT (0.48) MAPTTP53NR4A1NR4A2NR4A3
SCHEMBL8175391 0.84 ITGB3 (0.49) MAPTTP53NR4A1NR4A2NR4A3
SCHEMBL12460733 0.84 ITGB3 (0.57) MAPTTP53NR4A1NR4A2NR4A3
SCHEMBL10942377 0.84 LMNA (0.59) MEN1KMT2APPARGMASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574016-A Peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0513675-B1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-09-11 EP disclosed
EP-0513675-A1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed