SCHEMBL13637251

SCHEMBL13637251

Nc1cc(CC(=O)O)ccc1OCCCOc1ccc(Cl)cc1-n1nc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
PPARD Q03181 7/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3583161 0.90 PPARD (0.49) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3582341 0.88 MEN1 (0.46) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3576162 0.88 LTB4R (0.48) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3575493 0.87 LTB4R (0.48) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL13626011 0.87 PPARD (0.49) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3586520 0.86 PPARD (0.45) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL13637280 0.86 KDM4E (0.46) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3583609 0.85 KDM4E (0.44) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3587335 0.85 KDM4E (0.46) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3583900 0.82 KDM4E (0.45) KDM4EHPGDALDH1A1CYP1A2CYP2C9

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