SCHEMBL13637204

SCHEMBL13637204

CCc1ccc(OCCCOc2ccc(CC(=O)O)cc2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
LTB4R2 Q9NPC1 6/20 0.46
POLB P06746 2/20 0.44
PLA2G4B P0C869 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 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
SCHEMBL13440568 0.92 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3577071 0.90 LTB4R (0.50) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL13407823 0.90 NPC1 (0.60) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL13637208 0.89 LTB4R (0.44) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL3576162 0.88 LTB4R (0.48) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL3586956 0.88 KDM4E (0.44) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL13442151 0.85 KDM4E (0.42) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL3587335 0.84 KDM4E (0.46) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL13637206 0.82 LTB4R (0.45) LTB4RKDM4EALDH1A1HPGDMAPT
SCHEMBL3581379 0.82 FFAR1 (0.42) LTB4RKDM4EALDH1A1HPGDMAPT

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