SCHEMBL9831486

SCHEMBL9831486

CCCC[C@@H](C(N)=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.54
CA1 P00915 4/20 0.54
EPHX1 P07099 1/20 0.42
SLC15A1 P46059 1/20 0.41
MAPK1 P28482 1/20 0.40
DPP7 Q9UHL4 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
TP53 P04637 1/20 0.38
FDPS P14324 1/20 0.37

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
SCHEMBL7325930 1.00 CA2 (0.54) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL7316786 1.00 CA2 (0.54) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL4023785 0.93 CA1 (0.47) CA2CA1EPHX1MAPK1SLC1A2
SCHEMBL31560160 0.91 EPHX1 (0.48) CA2CA1EPHX1MAPK1TP53
SCHEMBL16393900 0.91 EPHX1 (0.48) CA2CA1EPHX1MAPK1TP53
SCHEMBL21670103 0.91 EPHX1 (0.48) CA2CA1EPHX1MAPK1TP53
SCHEMBL6205731 0.86 CA1 (0.41) CA2CA1EPHX1SLC1A3SLC1A2
SCHEMBL1577891 0.86 CA1 (0.41) CA2CA1EPHX1SLC1A3SLC1A2
SCHEMBL6204488 0.86 CA1 (0.41) CA2CA1EPHX1SLC1A3SLC1A2
SCHEMBL2585299 0.84 CA2 (0.52) CA2CA1EPHX1SLC15A1MAPK1

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
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed