SCHEMBL1387342

SCHEMBL1387342

NC(=O)N1CCOCC1.O=C(O)C=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
CA2 P00918 2/20 0.39
PHGDH O43175 2/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.38
ALDH2 P05091 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL78979 0.85
Acrylic Acid SCHEMBL31047096 0.84 SMN1; SMN2 (0.42) CA12CA1CA9SMN1; SMN2MEN1
Oxalic Acid SCHEMBL31346826 0.83 SMN1; SMN2 (0.48) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL27988207 0.83 CA12 (0.52) CA12CA1CA9SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1669235 0.83 CA12 (0.52) CA12CA1CA9SMN1; SMN2MEN1
Formic Acid SCHEMBL30516049 0.81 SMN1; SMN2 (0.46) CA12CA1CA9SMN1; SMN2MEN1
Glycine SCHEMBL8830885 0.78 KDM4E (0.45) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL30526480 0.77 MEN1 (0.56) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL5634201 0.77 RAB9A (0.40) CA12CA1CA9SMN1; SMN2MEN1
Chloroacetic Acid SCHEMBL7163879 0.76 KDM4E (0.44) CA12CA1CA9SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3596778-B2 2004-12-02 JP claimed
EP-0745081-B1 INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMA INC (US) 2001-11-21 EP claimed
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 claimed
US-6013645-A Hypocholesterolemic, antiatherosclerotic and hypotriglyceridemic mercaptoacetylamide disulfide derivatives HOECHST MARION ROUSSEL, INC. (US) 2000-01-11 US claimed
EP-0745080-B1 NOVEL MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 1999-03-03 EP claimed
US-5750521-A Mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase and ACE HOECHST MARION ROUSSEL INC. (US) 1998-05-12 US claimed
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 claimed
JP-H09510700-A 1997-10-28 JP claimed
US-5604221-A Indane-2-mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase MERRELL PHARMACEUTICALS INC. (US) 1997-02-18 US claimed
EP-0751774-A1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1997-01-08 EP claimed
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 claimed
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 claimed
EP-0745081-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1996-12-04 EP claimed
EP-0745080-A1 NOVEL MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1996-12-04 EP claimed
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 claimed
WO-1995025519-A1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-09-28 WO claimed
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 claimed
WO-1995021839-A1 NOVEL MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 WO claimed
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 claimed
WO-1995021840-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 WO claimed