SCHEMBL7279987

SCHEMBL7279987

O=C(O)CC(CC1CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.48
CPN1 P15169 2/20 0.48
FOLH1 Q04609 2/20 0.46
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
ANPEP P15144 2/20 0.40
ENPEP Q07075 2/20 0.40
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7279991 1.00 CPB2 (0.48) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL4603755 0.91 MMP2 (0.51) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL8107598 0.91 MMP2 (0.48) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL4603751 0.91 MMP2 (0.51) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL8757009 0.91 MMP2 (0.48) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL5073973 0.90 CPB2 (0.42) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL5073981 0.90 CPB2 (0.42) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL9208253 0.90 MMP2 (0.50) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL2856572 0.90 MMP2 (0.50) CPB2CPN1FOLH1MMP2MMP9
SCHEMBL28364697 0.86 LIPA (0.41) CPB2CPN1FOLH1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 US disclosed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP disclosed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP disclosed
US-5565476-A RENIN INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND HYPERTENSION BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-10-15 US disclosed
US-5554634-A HYPOTENSIVE BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-09-10 US disclosed
US-5541163-A HYPOTENSIVE AGENTS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-07-30 US disclosed
US-5523315-A N-(hydroxyethyl)butanediamide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-06-04 US disclosed
CN-1087625-A N-(hydroxyethyl) succinic diamide derivative BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-06-08 CN disclosed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed
EP-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed