SCHEMBL9068705

SCHEMBL9068705

CC(CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.62
NAALAD2 Q9Y3Q0 2/20 0.57
RIMKLA Q8IXN7 1/20 0.56
ACE P12821 12/20 0.52
BMP1 P13497 1/20 0.51

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
SCHEMBL11273193 0.87 ACE (0.50) FOLH1ACE
SCHEMBL929013 0.86 ACE (0.55) ACE
SCHEMBL929011 0.86 ACE (0.55) ACE
SCHEMBL8726316 0.86 ACE (0.55) ACE
SCHEMBL15828303 0.84 NAALAD2 (0.58) FOLH1NAALAD2RIMKLABMP1
SCHEMBL15847005 0.84 NAALAD2 (0.63) FOLH1NAALAD2RIMKLA
SCHEMBL15847003 0.84 NAALAD2 (0.63) FOLH1NAALAD2RIMKLA
SCHEMBL23835494 0.83 ACE (0.71) ACE
SCHEMBL930664 0.83 ACE (0.71) ACE
SCHEMBL7159495 0.83 NAALAD2 (0.57) FOLH1NAALAD2RIMKLAACE

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed