SCHEMBL8577307

SCHEMBL8577307

O=S(=O)(O)CCCCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.76
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
BCHE P06276 4/20 0.51
FFAR1 O14842 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
NR4A2 P43354 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
MAOB P27338 1/20 0.48
CYP2D6 P10635 1/20 0.47

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
SCHEMBL1171455 0.99 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1171457 0.99 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL6750228 0.99 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL6410263 0.89 CYP4F2 (0.65) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1172289 0.86 MGLL (1.00) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1172084 0.86 MGLL (0.76) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL6752149 0.86 MGLL (0.75) MGLLBCHEFFAR1
SCHEMBL1171456 0.85 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1171728 0.85 MGLL (0.73) MGLLBCHEFFAR1
SCHEMBL1172031 0.85 MGLL (0.73) MGLLBCHEFFAR1

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
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed