SCHEMBL11229541

SCHEMBL11229541

CCC1CCOC(=O)CC(C(C)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
HTT P42858 1/20 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
SCHEMBL3630554 0.79 CYP1A2 (0.42) CYP1A2HTT
SCHEMBL894093 0.79
SCHEMBL3628981 0.73 CYP1A2 (0.51) CYP1A2HTT
SCHEMBL3626372 0.70 CYP1A2 (0.57) CYP1A2
SCHEMBL10148202 0.69
SCHEMBL10290719 0.69
SCHEMBL4927326 0.69 CYP1A2 (0.50) CYP1A2
SCHEMBL893893 0.69 CYP1A2 (0.76) CYP1A2
SCHEMBL5022798 0.69 CYP1A2 (0.50) CYP1A2
SCHEMBL12359250 0.69 ANPEP (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309348-A DIURETICS AMERICAN HOME PRODUCTS CORPORATION (US) 1982-01-05 US disclosed
US-4235901-A TREATING HYPERTENSION IN MAMMALS WITH AN EFFECTIVE RENAL MINERALCORTICOID ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-25 US disclosed
WO-1979001037-A1 1-HYDROXYALKANAMINE PYRANO(3,4-B)INDOLE DERIVATIVES AMERICAN HOME PROD (US) 1979-11-29 WO disclosed
EP-0005365-A1 Pyrano and thiopyrano (3,4-b) indole derivatives, processes for their preparation and pharmaceutical compositions containing them AMERICAN HOME PRODUCTS CORPORATION (US) 1979-11-14 EP disclosed