SCHEMBL13637253

SCHEMBL13637253

Cc1cc(OCCCOc2ccc(F)cc2-n2nc3ccccc3n2)ccc1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.59
PPARG P37231 6/20 0.59
PPARA Q07869 4/20 0.59
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 5/20 0.49
POLB P06746 1/20 0.49
FFAR1 O14842 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL3586956 0.83 KDM4E (0.44) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL13440840 0.81 PPARD (0.58) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL13637196 0.81 KDM4E (0.53) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL13440568 0.79 KDM4E (0.52) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL3593824 0.79 PPARG (0.51) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL13440569 0.79 KDM4E (0.51) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL13637151 0.78 PPARG (0.46) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL13441633 0.78 PPARG (0.46) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL3587102 0.76 TDP1 (0.49) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL13637150 0.76 HPGD (0.44) PPARDPPARGPPARAALDH1A1HPGD

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