SCHEMBL8837702

SCHEMBL8837702

O=C(O)CCN1C(=O)C(NC(=O)OCc2ccccc2)CSc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.67
MME P08473 3/20 0.67
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
XIAP P98170 1/20 0.47
PREP P48147 2/20 0.46
F2 P00734 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11067510 0.85 ACE (0.55) ACEMMEF7F3XIAP
SCHEMBL7864412 0.83 ACE (0.56) ACEMMEF7F3XIAP
SCHEMBL7864413 0.83 ACE (0.56) ACEMMEF7F3XIAP
SCHEMBL11061682 0.83 ACE (0.56) ACEMMEF7F3XIAP
SCHEMBL10855859 0.82 ACE (0.52) ACEMMEF7F3XIAP
SCHEMBL10855731 0.82 ACE (0.52) ACEMMEF7F3XIAP
SCHEMBL7349685 0.80 MME (1.00) ACEMMEXIAP
SCHEMBL7349689 0.80 MME (1.00) ACEMMEXIAP
SCHEMBL10857935 0.77 ACE (0.67) ACEMME
SCHEMBL10857940 0.77 ACE (0.67) ACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed