SCHEMBL11034201

SCHEMBL11034201

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(=O)(O)CCCCCCCCN)C(=O)O.NCCCCCCCCO

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.49
MMP3 P08254 1/20 0.48
ECE1 P42892 1/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL11031566 0.99 MME (0.50) MMEMMP3ECE1LTA4H
SCHEMBL11031934 0.96 MME (0.53) MMEMMP3ECE1LTA4H
Monoethanolamine SCHEMBL11032722 0.89 MME (0.54) MMEECE1LTA4H
SCHEMBL11032754 0.87 MME (0.54) MMEECE1
SCHEMBL11032948 0.87 MME (0.54) MMEECE1
SCHEMBL11033973 0.86 MME (0.55) MMEECE1
SCHEMBL11034213 0.86 MMP3 (0.47) MMEMMP3ECE1
SCHEMBL11031714 0.85 MME (0.56) MMEECE1
SCHEMBL11031571 0.85 MMP3 (0.48) MMEMMP3ECE1
SCHEMBL11033335 0.83 MME (0.58) MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432972-A HYPOTENSIVE AGENTS, KANALGESICS, AND ANGIOTENSIN AND ENKEPHALIN INHIBITION E. R. SQUIBB & SONS, INC. (US) 1984-02-21 US disclosed