SCHEMBL13637196

SCHEMBL13637196

COc1ccc(OCCCOc2ccc(OCC(=O)O)cc2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.51
PPARD Q03181 4/20 0.50
PPARG P37231 3/20 0.50
PPARA Q07869 2/20 0.50
LMNA P02545 2/20 0.46
F2 P00734 2/20 0.45
ELANE P08246 2/20 0.45
MCL1 Q07820 2/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3577071 0.89 LTB4R (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13440568 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3593824 0.87 PPARG (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13440569 0.87 KDM4E (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13440570 0.84 PPARD (0.45) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13637276 0.82 PPARG (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13441819 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13637273 0.81 PPARD (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13637278 0.81 PPARD (0.47) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13637277 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDNPC1RAB9A

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