SCHEMBL11293227

SCHEMBL11293227

COC(=O)C1=CC(=O)C(C)(c2ccc(Cl)cc2)O1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 19/20 0.52
HCAR3 P49019 14/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL3101166 0.86 HCAR2 (0.54) HCAR2HCAR3CYP1A2
SCHEMBL11293467 0.85 HCAR2 (0.72) HCAR2HCAR3CYP1A2
SCHEMBL3105849 0.80 HCAR2 (0.74) HCAR2HCAR3CYP1A2
SCHEMBL3098814 0.78 HCAR2 (0.73) HCAR2HCAR3CYP1A2
SCHEMBL3099785 0.77 HCAR2 (0.74) HCAR2HCAR3CYP1A2
SCHEMBL3097421 0.77 HCAR2 (0.74) HCAR2HCAR3CYP1A2
SCHEMBL3103599 0.76 HCAR2 (0.74) HCAR2HCAR3CYP1A2
SCHEMBL11301212 0.75 HCAR2 (0.52) HCAR2HCAR3CYP1A2
SCHEMBL3094326 0.75 HCAR2 (0.59) HCAR2HCAR3CYP1A2
SCHEMBL3093524 0.75 HCAR2 (0.77) HCAR2HCAR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006305-B1 DERIVATIVES OF 4,5-DIHYDRO-4-OXOFURAN-2-CARBOXYLIC ACID, ESPECIALLY FOR USE AS HYPOLIPIDEMIC AGENTS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, TETRAHYDROPYRAN-2,3,5-TRIONES USEFUL IN THE PREPARATION OF THE SAID DERIVATIVES AND A PROCESS FOR PREPARING THESE TETRAHYDROPYRAN-2,3,5-TRIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1982-08-11 EP disclosed
US-4244958-A Hypolipidemic derivatives of 4,5-dihydro-4-oxofuran-2-carboxylic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 US disclosed
WO-1980000025-A1 DERIVATIVES OF 4,5-DIHYDRO-4-OXOFURAN-2-CARBOXYLIC ACID,PREPARATIONS AND USE THEREOF AND TETRAHYDROPYRAN-2,3,5-TRIONE INTERMEDIATES AMERICAN HOME PROD (US) 1980-01-10 WO disclosed
EP-0006305-A1 Derivatives of 4,5-dihydro-4-oxofuran-2-carboxylic acid, especially for use as hypolipidemic agents, processes for their preparation, pharmaceutical compositions comprising them, tetrahydropyran-2,3,5-triones useful in the preparation of the said derivatives and a process for preparing these tetrahydropyran-2,3,5-triones AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-09 EP disclosed
US-4169202-A Process for preparing 4,5-dihydro-4-oxofuran-2-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1979-09-25 US disclosed