SCHEMBL8439722

SCHEMBL8439722

CCCCCCCCCCCCCCCCCCN1C(=O)C=C(C)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.58
FAAH O00519 5/20 0.58
PTGS1 P23219 3/20 0.58
PTGS2 P35354 3/20 0.58
CES1 P23141 2/20 0.45
CDC25A P30304 1/20 0.45
ALDH1A1 P00352 3/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TLR9 Q9NR96 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5970312 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL18999087 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL4654369 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL8438883 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL187582 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL8439766 0.98 MGLL (0.55) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL7761775 0.92 MGLL (0.47) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL8885012 0.92 MGLL (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL907802 0.92 MGLL (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8443620 0.92 MGLL (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495544-B1 Process for the synthesis of citraconimides AKZO NOBEL NV (NL) 1999-04-07 EP disclosed
US-5523360-A IMPROVES MELT-FLOW PROPERTIES AKZO NOBEL N. V. (NL) 1996-06-04 US disclosed
EP-0648240-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS Akzo Nobel N.V. (NL) 1995-04-19 EP disclosed
EP-0643847-A1 ELECTROPHOTOGRAPHIC MATERIAL CONTAINING PARTICULAR PHTHALOCYANINES. AGFA GEVAERT NV (BE) 1995-03-22 EP disclosed
EP-0495545-B1 Citraconimide (co)polymers and curing with anionic catalyst AKZO NOBEL NV (NL) 1994-12-28 EP disclosed
WO-1994001485-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS AKZO NOBEL N.V. (NL) 1994-01-20 WO disclosed
WO-1993024865-A1 ELECTROPHOTOGRAPHIC MATERIAL CONTAINING PARTICULAR PHTHALOCYANINES AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1993-12-09 WO disclosed
US-5221717-A CITRACONIMIDE (CO)POLYMERS AND CURING WITH ANIONIC CATALYST AKZO N.V. (NL) 1993-06-22 US disclosed
EP-0495545-A1 Citraconimide (co)polymers and curing with anionic catalyst Akzo Nobel N.V. (NL) 1992-07-22 EP disclosed