SCHEMBL8650676

SCHEMBL8650676

CCc1cc(Sc2ccccc2)c(O)cc1OCCCCCC(C)(C)C#N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.45
LTB4R2 Q9NPC1 17/20 0.45
NR1H4 Q96RI1 4/20 0.42
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8565281 0.84 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL8565892 0.80 LTB4R (0.63) LTB4RLTB4R2NR1H4
SCHEMBL8651831 0.79 NR1H4 (0.53) LTB4RLTB4R2NR1H4
SCHEMBL8650952 0.79 LTB4R (0.59) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8653477 0.79 LTB4R (0.58) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8653050 0.79 LTB4R (0.58) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8654385 0.77 LTB4R (0.74) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417857 0.77 NR1H4 (0.60) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8653689 0.77 NR1H4 (0.44) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8566927 0.77 LTB4R (0.62) LTB4RLTB4R2

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