SCHEMBL8655412

SCHEMBL8655412

CCc1cc(OC(C)C)c(OCc2ccccc2)cc1OCCCCCC(C)(C)C#N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.51
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 2/20 0.35
SGMS2 Q8NHU3 1/20 0.35
GRM2 Q14416 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8651806 0.90 NR1H4 (0.54) NR1H4LTB4RLTB4R2SGMS2
SCHEMBL8650341 0.90 NR1H4 (0.54) NR1H4LTB4RLTB4R2SGMS2KDM4E
SCHEMBL8653472 0.89 NR1H4 (0.53) NR1H4LTB4RLTB4R2KDM4E
SCHEMBL8654007 0.87 NR1H4 (0.52) NR1H4LTB4RLTB4R2SGMS2
SCHEMBL8651831 0.85 NR1H4 (0.53) NR1H4LTB4RLTB4R2
SCHEMBL8560737 0.85 NR1H4 (0.53) NR1H4LTB4RLTB4R2SGMS2
SCHEMBL8650467 0.84 NR1H4 (0.52) NR1H4LTB4RLTB4R2SGMS2TDP1
SCHEMBL8568257 0.84 NR1H4 (0.52) NR1H4LTB4RLTB4R2
SCHEMBL8653660 0.84 NR1H4 (0.49) NR1H4LTB4RLTB4R2SGMS2KDM4E
SCHEMBL6759095 0.84 NR1H4 (0.52) NR1H4LTB4RLTB4R2SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579412-B1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists LILLY CO ELI (US) 1998-10-07 EP disclosed
US-5352690-A For asthma, allergies ELI LILLY AND COMPANY (US) 1994-10-04 US disclosed
EP-0579412-A1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists ELI LILLY AND COMPANY (US) 1994-01-19 EP disclosed