SCHEMBL13637162

SCHEMBL13637162

C/N=C1/C=CC=C/C1=N/Nc1cc(-n2nccn2)ccc1OCCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.40
LTB4R2 Q9NPC1 6/20 0.35
TBXAS1 P24557 1/20 0.35
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
PPARG P37231 4/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PLA2G4B P0C869 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32

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
SCHEMBL13637199 0.84 LTB4R (0.42) LTB4RLTB4R2PPARDPPARAPPARG
SCHEMBL13637357 0.75 LTB4R (0.39) LTB4RLTB4R2TBXAS1PPARDPPARA
SCHEMBL13441643 0.73 FFAR1 (0.39) LTB4RLTB4R2PPARDPPARAPPARG
SCHEMBL13637285 0.72 PLA2G4B (0.38) LTB4RLTB4R2PPARDPPARGPLA2G4B
SCHEMBL13442151 0.72 KDM4E (0.42) LTB4RLTB4R2TBXAS1PPARDPPARA
SCHEMBL13442143 0.70 PPARG (0.38) LTB4RLTB4R2PPARDPPARAPPARG
SCHEMBL13637279 0.65 PPARD (0.35) PPARDPPARAPPARGLMNA
SCHEMBL13637193 0.64 PPARG (0.51) LTB4RLTB4R2TBXAS1PPARDPPARA
SCHEMBL3589584 0.62 PPARG (0.47) LTB4RLTB4R2TBXAS1PPARDPPARA
SCHEMBL13637204 0.61 LTB4R (0.47) LTB4RLTB4R2PPARDPPARAPPARG

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
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed