SCHEMBL13637273

SCHEMBL13637273

Cn1ncc(-c2ccc(OCCCOc3ccc(OCC(=O)O)cc3)c(-n3nc4ccccc4n3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.48
PPARG P37231 4/20 0.48
PPARA Q07869 3/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.42
AOC3 Q16853 2/20 0.41
ACACA Q13085 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13637276 0.83 PPARG (0.46) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL13637196 0.81 KDM4E (0.53) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL13440568 0.80 KDM4E (0.52) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL13637278 0.80 PPARD (0.47) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL3593824 0.80 PPARG (0.51) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL13440569 0.80 KDM4E (0.51) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL13441819 0.77 KDM4E (0.50) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL13637277 0.76 KDM4E (0.46) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL13637253 0.74 PPARD (0.59) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL3587102 0.73 TDP1 (0.49) PPARDPPARGPPARAKDM4EALDH1A1

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