SCHEMBL9545824

SCHEMBL9545824

COc1ccc(CCCCCCCCOc2ccc(CCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.81
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
DRD3 P35462 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL9545804 0.91 LTB4R (0.70) LTB4R
SCHEMBL8078502 0.90 LTB4R (1.00) LTB4R
SCHEMBL8078837 0.89 LTB4R (1.00) LTB4R
SCHEMBL9545799 0.87 LTB4R (0.70) LTB4R
SCHEMBL8080164 0.81 LTB4R (0.84) LTB4R
SCHEMBL8862059 0.80 LTB4R (0.82) LTB4R
SCHEMBL8825091 0.80 LTB4R (0.60) LTB4RDRD3LTB4R2
SCHEMBL8825095 0.80 LTB4R (0.60) LTB4RDRD3LTB4R2
SCHEMBL9545867 0.79 LTB4R (0.60) LTB4R
SCHEMBL8862080 0.79 LTB4R (0.61) LTB4R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO claimed