SCHEMBL6054881

SCHEMBL6054881

CCc1ccc(OC(C)CC)c([S+]([O-])c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.33
▸ PPARD Q03181 11/20 0.33
▸ PPARA Q07869 10/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ABCC1 P33527 1/20 0.30

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
SCHEMBL5989715 0.88 PPARG (0.38) PPARGPPARDPPARACYP1A2CYP2A6
SCHEMBL5989709 0.88 PPARG (0.38) PPARGPPARDPPARACYP1A2CYP2A6
SCHEMBL5988927 0.88 PPARG (0.38) PPARGPPARDPPARACYP1A2CYP2A6
SCHEMBL5991756 0.82 PPARG (0.38) PPARGPPARDPPARA
SCHEMBL5989015 0.82 PPARG (0.38) PPARGPPARDPPARA
SCHEMBL5988966 0.73 TRPA1 (0.47) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL5988956 0.73 TRPA1 (0.47) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL5988961 0.73 TRPA1 (0.47) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL5992147 0.73 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL18888242 0.69 HDAC1 (0.49) PPARGPPARDPPARAALDH1A1LMNA

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
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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