SCHEMBL13637161

SCHEMBL13637161

O=C(O)Cc1ccc(OCCCOc2ccc(-c3ccco3)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.42
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTB4R Q15722 6/20 0.40
LTB4R2 Q9NPC1 5/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
POLB P06746 2/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3581379 0.82 FFAR1 (0.42) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL13407823 0.82 NPC1 (0.60) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL3586956 0.82 KDM4E (0.44) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL3576162 0.82 LTB4R (0.48) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL13637204 0.82 LTB4R (0.47) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL3577071 0.82 LTB4R (0.50) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL13442151 0.79 KDM4E (0.42) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL13442149 0.79 PPARD (0.44) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL3587335 0.79 KDM4E (0.46) PPARDKDM4EALDH1A1HPGDNPC1
SCHEMBL13441645 0.77 LTB4R (0.38) PPARDPPARAPPARGKDM4EALDH1A1

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