SCHEMBL13637199

SCHEMBL13637199

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.42
LTB4R2 Q9NPC1 6/20 0.42
PPARG P37231 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PLA2G4B P0C869 1/20 0.37
PPARD Q03181 2/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL13637285 0.87 PLA2G4B (0.38) LTB4RLTB4R2PPARGMEN1KMT2A
SCHEMBL13637162 0.84 LTB4R (0.40) LTB4RLTB4R2PPARGPLA2G4BPPARD
SCHEMBL13637279 0.79 PPARD (0.35) PPARGMEN1KMT2AL3MBTL1PPARD
SCHEMBL13441623 0.75 LTB4R (0.46) LTB4RLTB4R2PPARGMEN1KMT2A
SCHEMBL13637357 0.75 LTB4R (0.39) LTB4RLTB4R2PPARGPLA2G4BPPARD
SCHEMBL13441643 0.73 FFAR1 (0.39) LTB4RLTB4R2PPARGMEN1KMT2A
SCHEMBL13442143 0.73 PPARG (0.38) LTB4RLTB4R2PPARGPLA2G4BPPARD
SCHEMBL11596852 0.71 PLA2G4B (0.56) LTB4RLTB4R2PPARGMEN1KMT2A
SCHEMBL3589584 0.69 PPARG (0.47) LTB4RLTB4R2PPARGPLA2G4BPPARD
SCHEMBL13441375 0.69 PTGDR2 (0.61) LTB4RLTB4R2PPARGPPARDFFAR1

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