SCHEMBL13637276

SCHEMBL13637276

O=C(O)COc1ccc(OCCCOc2ccc(-c3ccsn3)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 3/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.42
ACACA Q13085 1/20 0.41
FABP4 P15090 7/20 0.39
FABP3 P05413 5/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL13637273 0.83 PPARD (0.48) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13637196 0.82 KDM4E (0.53) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13637278 0.80 PPARD (0.47) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13440569 0.80 KDM4E (0.51) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL3593824 0.80 PPARG (0.51) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13440568 0.79 KDM4E (0.52) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13637277 0.77 KDM4E (0.46) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13441819 0.75 KDM4E (0.50) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL3581379 0.75 FFAR1 (0.42) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13637275 0.74 PPARD (0.41) PPARGPPARDPPARAKDM4EMAPT

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