SCHEMBL8994848

SCHEMBL8994848

CCC(=O)N=C(N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.53
GAA P10253 3/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
SLC2A1 P11166 2/20 0.45
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8994846 1.00 LTB4R (0.53) LTB4RGAARAB9ATP53NPC1
SCHEMBL8995041 0.88 LTB4R (0.54) LTB4RGAARAB9ATP53NPC1
SCHEMBL8994902 0.88 LTB4R (0.72) LTB4RLMNAMAPTLTB4R2TSHR
SCHEMBL8994895 0.88 LTB4R (0.72) LTB4RLMNAMAPTLTB4R2TSHR
SCHEMBL8994916 0.88 LTB4R (0.46) LTB4RGAARAB9ATP53NPC1
SCHEMBL8995040 0.88 LTB4R (0.46) LTB4RGAARAB9ATP53NPC1
SCHEMBL8994922 0.88 LTB4R (0.46) LTB4RGAARAB9ATP53NPC1
SCHEMBL8994847 0.87 LTB4R (0.46) LTB4RGAARAB9ATP53NPC1
SCHEMBL8748256 0.85 GAA (0.63) LTB4RGAARAB9ATP53NPC1
SCHEMBL8748258 0.85 GAA (0.63) LTB4RGAARAB9ATP53NPC1

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed