SCHEMBL8995088

SCHEMBL8995088

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(/C(N)=N\C(=O)c3ccncc3)cc2)cc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.49
LTB4R2 Q9NPC1 1/20 0.45
LMNA P02545 5/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 4/20 0.42
RAB9A P51151 2/20 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
SLC2A1 P11166 2/20 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
SCHEMBL8994992 0.88 MAPT (0.47) LTB4RLTB4R2LMNANPC1SMN1; SMN2
SCHEMBL8995041 0.84 LTB4R (0.54) LTB4RLTB4R2LMNANPC1CYP2D6
SCHEMBL8594088 0.83 LTB4R (0.41) LTB4RLTB4R2LMNANPC1SMN1; SMN2
SCHEMBL8994846 0.82 LTB4R (0.53) LTB4RLTB4R2LMNANPC1GAA
SCHEMBL8994848 0.82 LTB4R (0.53) LTB4RLTB4R2LMNANPC1GAA
SCHEMBL8748258 0.82 GAA (0.63) LTB4RLTB4R2LMNANPC1CYP2D6
SCHEMBL8748256 0.82 GAA (0.63) LTB4RLTB4R2LMNANPC1CYP2D6
SCHEMBL8995092 0.81 LTB4R (0.43) LTB4RLTB4R2LMNANPC1SMN1; SMN2
SCHEMBL8592789 0.80 LTB4R (0.39) LTB4RLTB4R2LMNANPC1SMN1; SMN2
SCHEMBL8994930 0.80 LTB4R (0.75) LTB4RLTB4R2LMNAMAPTKMT2A

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 claimed
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed