SCHEMBL13637279

SCHEMBL13637279

N=C1C=CC=C/C1=N/Nc1cc(Cl)ccc1OCCCSc1ccc(CC(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.35
PPARG P37231 8/20 0.35
PPARA Q07869 8/20 0.35
AGPAT2 O15120 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 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 0.79 LTB4R (0.42) PPARDPPARGPPARAMAPTLMNA
SCHEMBL13637357 0.75 LTB4R (0.39) PPARDPPARGPPARA
SCHEMBL13442143 0.74 PPARG (0.38) PPARDPPARGPPARA
SCHEMBL13441643 0.73 FFAR1 (0.39) PPARDPPARGPPARAMEN1KMT2A
SCHEMBL13637285 0.69 PLA2G4B (0.38) PPARDPPARGLMNAL3MBTL1MEN1
SCHEMBL13637162 0.65 LTB4R (0.40) PPARDPPARGPPARALMNA
SCHEMBL9813446 0.65 ALDH1A1 (0.50) LMNAHPGDL3MBTL1RAB9AMEN1
SCHEMBL6933186 0.64 PPARG (0.48) PPARDPPARGPPARA
SCHEMBL13441623 0.64 LTB4R (0.46) PPARDPPARGPPARAMAPTLMNA
SCHEMBL13441399 0.62 HDAC1 (0.41)

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