SCHEMBL13625951

SCHEMBL13625951

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
PTGES O14684 2/20 0.41
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
REN P00797 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CXCR3 P49682 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
ALOX5AP P20292 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
SCHEMBL3575493 0.87 LTB4R (0.48) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL13625952 0.81 ALOX5AP (0.45) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL13625950 0.80 AKR1C3 (0.45) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3587069 0.77 KDM4E (0.46) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3576162 0.76 LTB4R (0.48) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3583161 0.76 PPARD (0.49) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3586512 0.76 KDM4E (0.52) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3586096 0.75 PPARA (0.51) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3575363 0.75 PPARD (0.47) PPARAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3583609 0.75 KDM4E (0.44) PPARAKDM4EALDH1A1HPGDCYP1A2

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