SCHEMBL8577180

SCHEMBL8577180

O=S(=O)(O)CCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.72
LTA4H P09960 1/20 0.63
EPHX2 P34913 1/20 0.63
BCHE P06276 2/20 0.59
FFAR1 O14842 5/20 0.57
FFAR4 Q5NUL3 1/20 0.57
ALOX5 P09917 1/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51

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
SCHEMBL6752149 0.99 MGLL (0.75) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL1172031 0.97 MGLL (0.73) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL1171728 0.97 MGLL (0.73) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL8855387 0.88 FFAR1 (0.60) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL4026021 0.88 MGLL (0.58) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL15482174 0.86 MGLL (0.66) MGLLLTA4HEPHX2LMNACYP1A2
SCHEMBL6750228 0.86 MGLL (0.74) MGLLBCHEFFAR1
SCHEMBL8539748 0.85 FFAR1 (0.62) MGLLLTA4HFFAR1
SCHEMBL8577307 0.85 MGLL (0.76) MGLLBCHEFFAR1
SCHEMBL1171851 0.84 MGLL (1.00) MGLLLTA4HEPHX2BCHEFFAR1

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