SCHEMBL5989715

SCHEMBL5989715

CCc1ccc(O[C@@H](C)CCO)c([S+]([O-])c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 15/20 0.38
▸ PPARD Q03181 15/20 0.38
▸ PPARA Q07869 13/20 0.38
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32

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
SCHEMBL5988927 1.00 PPARG (0.38) PPARGPPARDPPARACYP1A2CYP2A6
SCHEMBL5989709 1.00 PPARG (0.38) PPARGPPARDPPARACYP1A2CYP2A6
SCHEMBL6054881 0.88 PPARG (0.33) PPARGPPARDPPARACYP1A2CYP2A6
SCHEMBL5991756 0.82 PPARG (0.38) PPARGPPARDPPARA
SCHEMBL5989015 0.82 PPARG (0.38) PPARGPPARDPPARA
SCHEMBL5990443 0.75 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5990452 0.75 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5991677 0.75 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL5996707 0.75 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5992147 0.75 PPARG (0.72) PPARGPPARDPPARA

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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