SCHEMBL7350620

SCHEMBL7350620

O=C(O)CCN1C(=O)C(NC(=O)C(S)Cc2ccccc2)COc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 1.00
ACE P12821 15/20 1.00
XIAP P98170 3/20 0.51
RIPK1 Q13546 1/20 0.49

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
SCHEMBL7346952 1.00 MME (1.00) MMEACEXIAPRIPK1
SCHEMBL8428443 0.90 MME (1.00) MMEACE
SCHEMBL8837725 0.81 MME (0.70) MMEACEXIAP
SCHEMBL7349689 0.81 MME (1.00) MMEACEXIAP
SCHEMBL7349685 0.81 MME (1.00) MMEACEXIAP
SCHEMBL7341195 0.77 MME (0.62) MMEACEXIAPRIPK1
SCHEMBL7341191 0.77 MME (0.62) MMEACEXIAPRIPK1
SCHEMBL8837682 0.76 MME (0.73) MMEACEXIAPRIPK1
SCHEMBL8837688 0.76 MME (0.73) MMEACEXIAPRIPK1
SCHEMBL7292102 0.73 ACE (0.59) MMEACE

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-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed