SCHEMBL6955847

SCHEMBL6955847

CCN(CC)Cc1ccc(OCCc2coc(-c3cc(C(C)C)c(O)c(C(C)(C)C)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.37
PPARA Q07869 6/20 0.37
FFAR1 O14842 1/20 0.33

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
Hydrochloric Acid SCHEMBL6956681 0.90 PPARG (0.40) PPARGPPARA
SCHEMBL6960249 0.85 PPARG (0.40) PPARGPPARA
Hydrochloric Acid SCHEMBL6958986 0.85 KDM4E (0.41) PPARGPPARA
SCHEMBL6959446 0.85 PPARG (0.41) PPARGPPARAFFAR1
SCHEMBL6956018 0.84 PPARG (0.40) PPARGPPARAFFAR1
Hydrochloric Acid SCHEMBL6960508 0.82 PPARG (0.39) PPARGPPARAFFAR1
Hydrochloric Acid SCHEMBL6957244 0.82 ALDH1A1 (0.41) PPARGPPARAFFAR1
SCHEMBL6960251 0.82 PPARG (0.39) PPARGPPARAFFAR1
Hydrochloric Acid SCHEMBL7657569 0.81 ALDH1A1 (0.41) PPARGPPARAFFAR1
SCHEMBL6964581 0.79 PPARG (0.38) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
EP-0971709-A4 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2001-04-11 EP disclosed
EP-0971709-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 2000-01-19 EP disclosed
WO-1999018091-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1999-04-15 WO disclosed
EP-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
WO-1998015274-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed