SCHEMBL11213642

SCHEMBL11213642

COc1cc2c(c(Cl)c1Cl)C(=O)C(CCC(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
ACHE P22303 5/20 0.37
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL10663308 0.85 GRM2 (0.40) GRM2ACHE
SCHEMBL10660910 0.84 GRM2 (0.44) GRM2ACHE
SCHEMBL10493480 0.84 GRM2 (0.53) GRM2ACHE
SCHEMBL10656149 0.82 GRM2 (0.45) GRM2ACHE
SCHEMBL11118779 0.82 GRM2 (0.47) GRM2ACHE
SCHEMBL11115689 0.81 GRM2 (0.43) GRM2ACHE
SCHEMBL11653538 0.81 GRM2 (0.44) GRM2ACHE
SCHEMBL11655208 0.80 GRM2 (0.43) GRM2ACHE
SCHEMBL11114354 0.78 KDM4E (0.43) GRM2ACHE
SCHEMBL11116018 0.78 ACHE (0.49) ACHE

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
US-4356313-A [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4356314-A [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed
EP-0027948-A1 Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1981-05-06 EP disclosed