SCHEMBL8995041

SCHEMBL8995041

CC(=O)/N=C(\N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.54
LTB4R2 Q9NPC1 1/20 0.49
GAA P10253 3/20 0.48
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SLC2A1 P11166 2/20 0.44
PRMT1 Q99873 3/20 0.41
F2 P00734 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
PLAU P00749 1/20 0.41
PRMT5 O14744 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
TMPRSS2 O15393 1/20 0.41

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 0.88 LTB4R (0.53) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL8994848 0.88 LTB4R (0.53) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL8748256 0.88 GAA (0.63) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL8748258 0.88 GAA (0.63) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL8994891 0.88 LTB4R (0.75) LTB4RLTB4R2LMNAMAPT
SCHEMBL8995075 0.87 LTB4R (0.48) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL8994927 0.86 LTB4R (0.47) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL8590610 0.84 LTB4R (0.48) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL8995088 0.84 LTB4R (0.49) LTB4RLTB4R2GAARAB9ATP53
SCHEMBL9117722 0.82 LTB4R (0.75) LTB4RLTB4R2RAB9ANPC1LMNA

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
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US claimed
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