SCHEMBL13637152

SCHEMBL13637152

O=C(O)COc1ccc(OCCCOc2ncc(Cl)cc2-n2nc3ccccc3n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
PPARD Q03181 3/20 0.45
FFAR1 O14842 2/20 0.45
TDP1 Q9NUW8 5/20 0.43
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL13440840 0.91 PPARD (0.58) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL13440566 0.90 KDM4E (0.43) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL3587102 0.84 TDP1 (0.49) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL13637150 0.84 HPGD (0.44) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL13637202 0.82 LTB4R (0.41) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL13637151 0.82 PPARG (0.46) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL13441633 0.82 PPARG (0.46) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL13441377 0.81 PPARD (0.41) PPARGPPARDTDP1PPARAALDH1A1
SCHEMBL3593824 0.79 PPARG (0.51) PPARGPPARDFFAR1TDP1PPARA
SCHEMBL13637205 0.78 PPARG (0.45) PPARGPPARDPPARACYP2C19CYP1A2

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