SCHEMBL9068906

SCHEMBL9068906

CC(=O)SCC(Cc1ccccc1)NC(=O)CCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.54
ACE P12821 4/20 0.54
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL9068556 0.99 MME (0.53) MMEACE
SCHEMBL9068533 0.87 MME (0.62) MMEACE
SCHEMBL7446860 0.86 HDAC1 (0.51) ITGB3ITGA2B
SCHEMBL7446865 0.86 HDAC1 (0.51) ITGB3ITGA2B
SCHEMBL7304584 0.81 MME (0.46) MMEACE
SCHEMBL9069257 0.81 MME (0.62) MMEACEITGB3ITGA2B
SCHEMBL8837469 0.80 FCER2 (0.50) MMEACE
SCHEMBL9068708 0.80 MME (0.73) MMEACE
SCHEMBL9069167 0.80 MME (0.60) MMEACE
SCHEMBL7450894 0.80 MME (0.52) 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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
EP-0161769-B1 ENKEPHALINASE INHIBITORS E.R. Squibb & Sons, Inc. (US) 1987-10-28 EP disclosed
EP-0161769-A1 Enkephalinase inhibitors E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed