SCHEMBL6991468

SCHEMBL6991468

CC(C)(C)C(=O)OCSOSCOC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACHE P22303 1/20 0.32
ELANE P08246 4/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
BTN3A1 O00481 2/20 0.30

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
SCHEMBL6991459 0.80 PRKCA (0.42) PRKCAPOLBGAANPSR1ELANE
SCHEMBL12360855 0.78 PRKCA (0.41) PRKCAPOLBGAANPSR1ELANE
SCHEMBL7348874 0.74 PRKCA (0.38) PRKCAPOLBGAANPSR1ELANE
SCHEMBL20299385 0.74 PRKCA (0.38) PRKCAPOLBGAANPSR1ELANE
SCHEMBL7348875 0.73 PRKCA (0.37) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL4258156 0.71 POLB (0.48) PRKCAPOLBGAANPSR1ELANE
SCHEMBL681950 0.71 PRKCA (0.46) PRKCAPOLBGAANPSR1ELANE
SCHEMBL63686 0.69
SCHEMBL126096 0.69
SCHEMBL63687 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641343-B1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMA INC (US) 2003-06-25 EP disclosed
EP-0656001-B1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMA INC (US) 1999-09-15 EP disclosed
US-5491142-A 2-substituted indane-2-mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5491141-A ENZYME INHIBITORS, HYPERTENSIVE AGENTS; TREATING DIURETIC, CONGESTIVE HEART FAILURE, ALDOSTERONISM, RENAL DISEASES, GLAUCOMA MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
EP-0656001-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1995-06-07 EP disclosed
US-5420271-A Analgesics, cardiovascular disorders, diuretics or hypoaldosteronemic agents MERRELL DOW PHARMACEUTICALS, INC. (US) 1995-05-30 US disclosed
EP-0641343-A1 4-MERCAPTOACETYLAMINO- 2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
WO-1994004531-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-03 WO disclosed
WO-1993023397-A1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed
US-5238932-A Mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-24 US disclosed