SCHEMBL13625950

SCHEMBL13625950

COc1cc(C(C)C(=O)O)ccc1OCCCOc1ccc(Cl)cc1-n1nc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTGES O14684 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
CXCR3 P49682 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
SCHEMBL3579483 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3575493 0.83 LTB4R (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3581612 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13625951 0.80 PPARA (0.45) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3585233 0.75 HPGD (0.47) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3593824 0.75 PPARG (0.51) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13407838 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3576162 0.73 LTB4R (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3583161 0.73 PPARD (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3587069 0.73 KDM4E (0.46) 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