SCHEMBL8579779

SCHEMBL8579779

CC(C)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)C(C)(C)N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
SLC7A5 Q01650 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CPA1 P15085 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
RNPEP Q9H4A4 1/20 0.30

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
SCHEMBL8579775 1.00 AAK1 (0.37) AAK1SLC7A5CTSLCTSBCTSS
SCHEMBL8577090 0.86 SLC7A5 (0.41) SLC7A5CPA1SLC1A3SLC1A2RNPEP
SCHEMBL8577100 0.86 SLC7A5 (0.41) SLC7A5CPA1SLC1A3SLC1A2RNPEP
SCHEMBL8575312 0.81 CYP1A2 (0.33) SLC1A3SLC1A2
SCHEMBL8575315 0.81 CYP1A2 (0.33) SLC1A3SLC1A2
SCHEMBL27766846 0.77 AAK1 (0.34) AAK1SLC7A5
SCHEMBL6078689 0.76 AAK1 (0.38) AAK1SLC7A5CTSLCTSBCTSS
SCHEMBL67031 0.76 AAK1 (0.48) AAK1SLC7A5CTSLCTSBCTSS
SCHEMBL69223 0.76 AAK1 (0.48) AAK1SLC7A5CTSLCTSBCTSS
SCHEMBL29013205 0.76 MEN1 (0.33) AAK1CTSLCTSBCTSSCTSK

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-5840712-A TARGETS AND LINKERS RECEPTAGEN CORPORATION (US) 1998-11-24 US disclosed