SCHEMBL7098484

SCHEMBL7098484

C=CC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCN1C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.48
PTGS2 P35354 7/20 0.48
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MGLL Q99685 6/20 0.43
FAAH O00519 3/20 0.42
HSP90AA1 P07900 1/20 0.42
TLR9 Q9NR96 1/20 0.42
LMNA P02545 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
RECQL P46063 1/20 0.42
RAB9A P51151 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
SCHEMBL15483490 0.83 PTGS1 (0.51) PTGS1PTGS2ALDH1A1TP53HIF1A
SCHEMBL13893299 0.82 TSHR (0.56) PTGS1PTGS2ALDH1A1TP53TSHR
SCHEMBL15483460 0.81 TSHR (0.53) PTGS1PTGS2ALDH1A1TP53TSHR
SCHEMBL14540366 0.81 PTGS1 (0.62) PTGS1PTGS2ALDH1A1TP53HIF1A
SCHEMBL12558002 0.81 TSHR (0.73) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL17014869 0.80 MGLL (0.49) PTGS1PTGS2ALDH1A1TP53HIF1A
SCHEMBL8738404 0.79 TSHR (0.66) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL28546260 0.79 PTGS1 (0.55) PTGS1PTGS2ALDH1A1TP53TSHR
SCHEMBL2111408 0.78 PTGS1 (0.58) PTGS1PTGS2ALDH1A1TP53HIF1A
SCHEMBL10030571 0.78 MGLL (0.50) PTGS1PTGS2ALDH1A1TP53TSHR

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-1339127-A1 SOLID POLYMER ELECTROLYTE AND CELL CONTAINING THE ELECTROLYTE DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-08-27 EP disclosed