SCHEMBL10018581

SCHEMBL10018581

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.38
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
FAAH O00519 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL15892740 0.93 MGLL (0.35) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL10018579 0.91 MGLL (0.33) MGLLPTGS1PTGS2FAAHPOLB
SCHEMBL10018582 0.89 KAT2A (0.33) MGLLPTGS1PTGS2POLBKAT2A
SCHEMBL18591512 0.89 MEN1 (0.32) MGLLPTGS1PTGS2ALDH1A1HPGD
SCHEMBL2226946 0.88 PTGS1 (0.42) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL10018580 0.86 TLR2 (0.32) MGLL
Ether SCHEMBL515801 0.82 GSK3A (0.33) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL28486309 0.82 PTGS1 (0.38) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL14655039 0.82 PTGS1 (0.40) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL15892801 0.81 MGLL (0.39) MGLLPTGS1PTGS2FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158746-B2 Active energy ray curable liquid composition and liquid cartridge CANON KABUSHIKI KAISHA (JP) 2012-04-17 US disclosed
US-20100324163-A1 ACTIVE ENERGY RAY CURABLE LIQUID COMPOSITION AND LIQUID CARTRIDGE CANON KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed