SCHEMBL13625952

SCHEMBL13625952

CC(C)(Cc1ccc(OCCCOc2ccc(Cl)cc2-n2nc3ccccc3n2)cc1Cl)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARA Q07869 10/20 0.40
PPARD Q03181 7/20 0.40
PPARG P37231 6/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
PTGER1 P34995 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
SCHEMBL3586096 0.85 PPARA (0.51) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3587069 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3575363 0.82 PPARD (0.47) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13625951 0.81 PPARA (0.45) ALOX5APKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3587102 0.80 TDP1 (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3593824 0.79 PPARG (0.51) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3576162 0.77 LTB4R (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3579483 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13407836 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3586520 0.76 PPARD (0.45) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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 2 patents. 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
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