SCHEMBL21090943

SCHEMBL21090943

O=C1OCCOC(=O)c2ccccc2C(=O)OOC(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.48
MAOB P27338 2/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25B P30305 2/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL3733365 0.92 ALOX15 (0.55) MAOAMAOBALOX15TDP1ITGB2
Hydrochloric Acid SCHEMBL23174308 0.90 ALOX15 (0.52) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL1434255 0.90 ALOX15 (0.52) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL9276785 0.89 MAOA (0.43) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL7108757 0.83 MAOA (0.46) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL30413722 0.82 MAOA (0.50) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL29462577 0.82 MAOA (0.50) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL24434352 0.82 MAOA (0.50) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL5709796 0.82 MAOA (0.50) MAOAMAOBALOX15TDP1ITGB2
SCHEMBL28500409 0.82 MAOA (0.50) MAOAMAOBALOX15TDP1ITGB2

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-1613672-B1 DOSING OF PEROXIDE TO A SUSPENSION PROCESS WHEREIN STYRENE IS POLYMERIZED AKZO NOBEL CHEMICALS INT BV (NL) 2019-06-12 EP disclosed