SCHEMBL7163787

SCHEMBL7163787

CC(C)C[C@@H](CS)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CTSK P43235 6/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 2/20 0.49
▸ CTSB P07858 1/20 0.49
▸ AAK1 Q2M2I8 5/20 0.48
▸ CAPN1 P07384 1/20 0.46
▸ CYP2D6 P10635 1/20 0.43
▸ ATM Q13315 1/20 0.40

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
SCHEMBL7353781 1.00 CA1 (0.51) CA1CA2CA7CTSKCTSL
SCHEMBL19227630 0.89 CA1 (0.58) CA1CA2CA7CTSKCTSL
SCHEMBL28421522 0.87 CA1 (0.50) CA1CA2CA7CTSKCTSL
SCHEMBL5262474 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL4032796 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL8560322 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL15250454 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL8561571 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL21169229 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL272780 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSL

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751774-B1 HYPOCHOLESTEROLEMIC MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES MERRELL PHARMA INC (US) 2003-08-13 — — EP disclosed
EP-0745081-B1 INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMA INC (US) 2001-11-21 — — EP disclosed
EP-0750631-B1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO(C)AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 2000-04-05 — — EP disclosed
US-6013645-A Hypocholesterolemic, antiatherosclerotic and hypotriglyceridemic mercaptoacetylamide disulfide derivatives HOECHST MARION ROUSSEL, INC. (US) 2000-01-11 — — US disclosed
US-5880119-A Mercaptoacetylamino 1,3,4,5-tetrahydro-benzo(C)azepin-2-one disulfide derivatives useful as inhibitors of enkephalinase and ACE MERRELL PHARMACEUTICALS INC. (US) 1999-03-09 — — US disclosed
EP-0745080-B1 NOVEL MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 1999-03-03 — — EP disclosed
US-5750521-A Mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase and ACE HOECHST MARION ROUSSEL INC. (US) 1998-05-12 — — US disclosed
US-5731306-A Mercaptoacetylamido 1,3,4,5-tetrahydro-benzo c!azepin-3-one disulfide derivatives useful as inhibitors of enkephalinase and ace AVENTISUB II INC. 1998-03-24 — — US disclosed
US-5629309-A 2-substituted indane-2-mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase and ACE MERRELL PHARMACEUTICALS INC. (US) 1997-05-13 — — US disclosed
US-5604221-A Indane-2-mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase MERRELL PHARMACEUTICALS INC. (US) 1997-02-18 — — US disclosed
EP-0750631-A1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO(C)AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1997-01-02 — — EP disclosed
EP-0746566-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 — — EP disclosed
EP-0745081-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1996-12-04 — — EP disclosed
EP-0745080-A1 NOVEL MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1996-12-04 — — EP disclosed
US-5567814-A 2-substituted indane-2-mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase and ACE MERRELL PHARMACEUTICALS INC. (US) 1996-10-22 — — US disclosed
WO-1995025519-A1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-09-28 — — WO disclosed
WO-1995021857-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 — — WO disclosed
WO-1995021839-A1 NOVEL MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 — — WO disclosed
WO-1995021854-A1 NOVEL MERCAPTOACETYLAMIDO 1,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-3-ONE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 — — WO disclosed
WO-1995021840-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 — — WO disclosed
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