SCHEMBL8995023

SCHEMBL8995023

CCCC(=O)/N=C(\N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)c(O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.45
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 8/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
SLC2A1 P11166 2/20 0.40
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
MAOA P21397 1/20 0.38
PPARD Q03181 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
SCHEMBL8995028 1.00 LTB4R (0.45) LTB4RGAARAB9ANPC1LMNA
SCHEMBL8994922 0.92 LTB4R (0.46) LTB4RGAARAB9ANPC1LMNA
SCHEMBL8994916 0.92 LTB4R (0.46) LTB4RGAARAB9ANPC1LMNA
SCHEMBL8995040 0.92 LTB4R (0.46) LTB4RGAARAB9ANPC1LMNA
SCHEMBL8995075 0.88 LTB4R (0.48) LTB4RGAARAB9ANPC1LMNA
SCHEMBL8747961 0.86 GAA (0.53) LTB4RGAARAB9ANPC1LMNA
SCHEMBL7717126 0.86 GAA (0.53) LTB4RGAARAB9ANPC1LMNA
SCHEMBL8994847 0.82 LTB4R (0.46) LTB4RGAARAB9ANPC1LMNA
SCHEMBL7711184 0.82 LTB4R (0.64) LTB4RRAB9ANPC1LMNAMAPT
Hydrochloric Acid SCHEMBL8995077 0.81 LTB4R (0.63) LTB4RRAB9ANPC1LMNAMAPT

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