SCHEMBL13637205

SCHEMBL13637205

CC(C)(Oc1ccc(OCCCOc2ncc(Cl)cc2-n2nc3ccccc3n2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.45
PPARA Q07869 15/20 0.44
PPARD Q03181 7/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13440566 0.85 KDM4E (0.43) PPARGPPARAPPARDCYP1A2MAPT
SCHEMBL13637202 0.83 LTB4R (0.41) PPARGPPARAPPARDMAPT
SCHEMBL13441377 0.80 PPARD (0.41) PPARGPPARAPPARDCYP1A2MAPT
SCHEMBL13440840 0.79 PPARD (0.58) PPARGPPARAPPARDCYP1A2MAPT
SCHEMBL13637152 0.78 PPARG (0.45) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL3586096 0.77 PPARA (0.51) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL3575363 0.77 PPARD (0.47) PPARGPPARAPPARDCYP1A2MAPT
SCHEMBL3587069 0.74 KDM4E (0.46) PPARGPPARAPPARDCYP1A2MAPT
SCHEMBL3593824 0.69 PPARG (0.51) PPARGPPARAPPARDCYP1A2MAPT
SCHEMBL13625952 0.69 ALOX5AP (0.45) PPARGPPARAPPARDCYP1A2MAPT

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