SCHEMBL13637153

SCHEMBL13637153

Nc1ccc(OCCCOc2ccc(OCC(=O)O)cc2)c(N2N=C3CCCCC3N2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.36
PPARA Q07869 7/20 0.36
PPARG P37231 5/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
PDE4B Q07343 4/20 0.34
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13441808 0.77 PPARD (0.41) PPARDPPARAPPARGPTGDR2TSHR
SCHEMBL13637157 0.71 PPARD (0.47) PPARDPPARAPPARGPTGDR2TSHR
SCHEMBL13441823 0.63 PPARG (0.51) PPARDPPARAPPARGMAPTMEN1
SCHEMBL13441807 0.63 PTGDR2 (0.58) PPARDPPARAPPARGPTGDR2CYP2C9
SCHEMBL13637151 0.63 PPARG (0.46) PPARDPPARAPPARGPTGDR2TSHR
SCHEMBL655820 0.61 ALOX15 (0.65) PPARDPPARGPTGDR2TSHRHSD17B10
SCHEMBL13637155 0.61 PTGDR2 (0.61) PPARDPPARAPPARGPTGDR2CYP2C9
SCHEMBL13637196 0.61 KDM4E (0.53) PPARDPPARAPPARGPTGDR2CYP1A2
Hydrochloric Acid SCHEMBL830710 0.60 ALOX15 (0.63) PPARDPPARGPTGDR2TSHRHSD17B10
SCHEMBL13407869 0.60 PPARG (0.42) PPARDPPARAPPARGTSHRHSD17B10

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