SCHEMBL27644342

SCHEMBL27644342

Cc1ccc(CC(CC(N)C(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.51
▸ SLC1A3 P43003 1/20 0.51
▸ SLC1A2 P43004 1/20 0.51
▸ GRIK1 P39086 2/20 0.43
▸ GRIK2 Q13002 1/20 0.43
▸ SLC7A5 Q01650 2/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ RNPEP Q9H4A4 1/20 0.41
▸ DNPEP Q9ULA0 1/20 0.41
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ MME P08473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ PGGT1B P53609 2/20 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
Hydrochloric Acid SCHEMBL8129682 0.88 SLC1A1 (0.64) SLC1A1SLC1A3SLC1A2GRIK1SLC7A5
SCHEMBL17978113 0.84 SLC7A5 (0.45) SLC7A5PPARGPPARACYP1A2KIF11
SCHEMBL17978114 0.84 SLC7A5 (0.45) SLC7A5PPARGPPARACYP1A2KIF11
SCHEMBL2262934 0.83 SLC1A1 (0.73) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL13726229 0.81 SLC7A5 (0.46) SLC1A1SLC1A3SLC1A2SLC7A5
SCHEMBL12656116 0.81 SLC7A5 (0.46) SLC1A1SLC1A3SLC1A2SLC7A5
SCHEMBL13726226 0.81 SLC7A5 (0.46) SLC1A1SLC1A3SLC1A2SLC7A5
SCHEMBL1519895 0.80 SLC7A5 (0.41) SLC7A5PPARGPPARACYP1A2KIF11
SCHEMBL7436701 0.80 CYP1A2 (0.57) SLC1A1SLC1A3SLC1A2PPARGPPARA
SCHEMBL7436695 0.80 CYP1A2 (0.57) SLC1A1SLC1A3SLC1A2PPARGPPARA

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
CN-1882347-A AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2006-12-20 — — CN disclosed
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