SCHEMBL197585

SCHEMBL197585

N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.55
MME P08473 3/20 0.55
F2 P00734 3/20 0.55
F7 P08709 2/20 0.55
F3 P13726 2/20 0.55
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL197912 1.00 ACE (0.55) ACEMMEF2F7F3
SCHEMBL197586 1.00 ACE (0.55) ACEMMEF2F7F3
Bromide SCHEMBL7442462 0.99 ACE (0.54) ACEMMEF2F7F3
Bromide SCHEMBL7442458 0.99 ACE (0.54) ACEMMEF2F7F3
SCHEMBL9802560 0.89 F2 (0.55) ACEMMEF2F7F3
SCHEMBL9802556 0.89 F2 (0.55) ACEMMEF2F7F3
SCHEMBL7342590 0.87 ACE (0.57) ACEMMEF2F7F3
SCHEMBL11066807 0.85 LMNA (0.54) ACEMMEF2F7F3
SCHEMBL12893380 0.84 ACE (0.55) ACEMMEF2KMT2AMITF
SCHEMBL8881927 0.83 NPSR1 (0.65) ACEMMEF2F7F3

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-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 US claimed