SCHEMBL5989981

SCHEMBL5989981

CC(CCOc1ccc(Cl)cc1Oc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.51
▸ PPARD Q03181 5/20 0.51
▸ PPARA Q07869 5/20 0.51
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 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
SCHEMBL5989975 1.00 PPARG (0.51) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL5991150 1.00 PPARG (0.51) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL5992130 0.83 PPARG (0.53) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5990526 0.83 PPARG (0.53) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5989753 0.83 PPARG (0.53) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5989877 0.81 PPARG (0.56) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL5989711 0.81 PPARG (0.56) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL5989704 0.81 PPARG (0.56) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL5990294 0.81 CYP3A4 (0.44) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL6054779 0.81 CYP3A4 (0.44) PPARGPPARDPPARACYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 — — EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 — — WO disclosed
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