SCHEMBL11433243

SCHEMBL11433243

CC(=O)SCC(CSC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.64
FOLH1 Q04609 1/20 0.49
SLC6A5 Q9Y345 1/20 0.42
GNPAT O15228 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SLC15A2 Q16348 1/20 0.40
ECE1 P42892 1/20 0.39
GSR P00390 1/20 0.38

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
SCHEMBL11331433 0.83 CPB2 (0.57) CPB2FOLH1GNPAT
SCHEMBL11333852 0.83 CPB2 (0.53) CPB2FOLH1SLC6A5GNPATECE1
SCHEMBL11334875 0.83 CPB2 (0.53) CPB2
SCHEMBL11336752 0.82 CPB2 (0.56) CPB2FOLH1GNPAT
SCHEMBL11321753 0.81 CPB2 (0.55) CPB2FOLH1
SCHEMBL11432087 0.81 BMP1 (0.44) CPB2FOLH1GNPATECE1
SCHEMBL11560458 0.80 CPB2 (0.41) CPB2FOLH1GNPAT
SCHEMBL2167433 0.79 FOLH1 (0.55) CPB2FOLH1SLC6A5GNPATSIRT6
SCHEMBL29396098 0.77 GNPAT (0.60) CPB2FOLH1SLC6A5GNPATSIRT6
SCHEMBL29396725 0.77 GNPAT (0.60) CPB2FOLH1SLC6A5GNPATSIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228077-A N-[2-(mercaptoalkyl)-3-mercaptoalkanoyl]-l-tryptophanes E. R. SQUIBB & SONS, INC. (US) 1980-10-14 US disclosed
US-4206121-A ANGIOTENSIN, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1980-06-03 US disclosed
US-4178291-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-12-11 US disclosed
US-4176235-A ANGIOTENSIN COVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-11-27 US disclosed
US-4175199-A Substituted acyl derivatives of amino acids E. R. SQUIBB & SONS, INC. (US) 1979-11-20 US disclosed
US-4154936-A ENZYME INHIBITORS, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4140864-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4116962-A ANGIOTENSIN CONVERTING ENXYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-09-26 US disclosed