SCHEMBL7323825

SCHEMBL7323825

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CSC(C)=O)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
MME P08473 1/20 0.56
ANPEP P15144 1/20 0.56
ERAP2 Q6P179 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HCRTR1 O43613 1/20 0.56
CTSL P07711 1/20 0.55

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
SCHEMBL7323834 1.00 LTA4H (0.58) LTA4HMMEANPEPERAP2ERAP1
SCHEMBL7323829 1.00 LTA4H (0.58) LTA4HMMEANPEPERAP2ERAP1
SCHEMBL7315973 0.93 TP53 (0.56) LTA4HANPEPERAP2ERAP1KMT2A
SCHEMBL6172199 0.91 LTA4H (0.69) LTA4HMME
SCHEMBL6172205 0.91 LTA4H (0.69) LTA4HMME
SCHEMBL8165669 0.86 ECE1 (0.66) LTA4HMME
SCHEMBL8166224 0.86 ECE1 (0.66) LTA4HMME
SCHEMBL11506794 0.86 KMT2A (0.55) ANPEPERAP2ERAP1KMT2AMEN1
SCHEMBL6171219 0.85 MME (0.71) LTA4HMME
SCHEMBL6169855 0.85 LTA4H (0.59) LTA4HMMEKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed