SCHEMBL13625916

SCHEMBL13625916

O=C(O)Cn1ncc2cc(OCCOc3ccc(Cl)cc3-n3nc4ccccc4n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PPARG P37231 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
POLB P06746 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
SCHEMBL3584874 0.97 KMO (0.46) KMOKDM4EALDH1A1HPGDCYP1A2
SCHEMBL13626046 0.87 ALDH1A1 (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13637252 0.87 CYP4F2 (0.40) KDM4EALDH1A1HPGDPTGDR2CYP4F2
SCHEMBL3584162 0.85 PPARD (0.52) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3579373 0.82 PPARG (0.55) PPARG
SCHEMBL3587335 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3593824 0.77 PPARG (0.51) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3581482 0.76 MCL1 (0.57) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3576162 0.75 LTB4R (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL4329671 0.74 KMO (0.58) KMOCYP4F2CYP4A11TDP1

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