SCHEMBL7311968

SCHEMBL7311968

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
REN P00797 13/20 0.46
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL7872157 1.00 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL9819695 1.00 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL5847958 1.00 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL7401954 1.00 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL13134807 1.00 CTSS (0.56) CTSSCTSKRENCTSDCTSE
SCHEMBL12161411 0.96 CTSK (0.51) CTSSCTSKRENCTSDCTSE
SCHEMBL2809379 0.96 CTSK (0.51) CTSSCTSKRENCTSDCTSE
SCHEMBL8278577 0.93 CTSK (0.53) CTSSCTSKRENCA1CA2
SCHEMBL10407741 0.89 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL6477320 0.88 CTSK (0.49) CTSSCTSKRENCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376649-B1 REACTING A N-TERMINALLY BLOCKED AMINOALDEHYDE WITH AN ISONITRILE AND A CARBOXYLIC ACID TO GIVE AN AMINO-ALPHA-ACYLOXYCARBOXAMIDE; REMOVING THE ACYLOXY GROUP, OR REMOVING THE PROTECTING GROUP GIVE THE DERIVATIVE. CORVAS INTERNATIONAL, INC. 2002-04-23 US disclosed
EP-1140854-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2001-10-10 EP disclosed
WO-2000035868-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2000-06-22 WO disclosed
US-5135914-A Controlling hypertension, hyperaldosteronism, and congestive heart failure WARNER-LAMBERT COMPANY (US) 1992-08-04 US disclosed
US-4668769-A Oxa- and azahomocyclostatine polypeptides PFIZER INC. 1987-05-26 US disclosed
EP-0211580-A2 Renin inhibiting polypeptides and intermediates therefor PFIZER INC. (US) 1987-02-25 EP disclosed
US-4599198-A Intermediates in polypeptide synthesis PFIZER INC. (US) 1986-07-08 US disclosed