SCHEMBL28741604

SCHEMBL28741604

CC(C)c1ccc(CCC(N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 3/20 0.50
▸ GRIK2 Q13002 2/20 0.50
▸ GRIA1 P42261 1/20 0.50
▸ GRIA2 P42262 1/20 0.50
▸ GRIA3 P42263 1/20 0.50
▸ GRIA4 P48058 1/20 0.50
▸ GRIK3 Q13003 1/20 0.50
▸ KIF11 P52732 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RAB9A P51151 2/20 0.44
▸ SLC7A5 Q01650 1/20 0.43
▸ GRM8 O00222 1/20 0.43
▸ GRM7 Q14831 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ FKBP1A P62942 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGS1 P23219 3/20 0.42

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
SCHEMBL3629107 0.84 GRIK1 (0.54) GRIK1GRIK2GRIA1GRIA2GRIA3
SCHEMBL3629108 0.84 GRIK1 (0.54) GRIK1GRIK2GRIA1GRIA2GRIA3
SCHEMBL25356342 0.84 GRIK1 (0.54) GRIK1GRIK2GRIA1GRIA2GRIA3
SCHEMBL6775977 0.82 SLC7A5 (0.65) KIF11ALDH1A1SLC7A5SMN1; SMN2PTGS1
SCHEMBL599271 0.82 SLC7A5 (0.65) KIF11ALDH1A1SLC7A5SMN1; SMN2PTGS1
SCHEMBL599272 0.82 SLC7A5 (0.65) KIF11ALDH1A1SLC7A5SMN1; SMN2PTGS1
SCHEMBL8072533 0.82 KIF11 (0.50) GRIK1GRIK2KIF11GRM8GRM7
SCHEMBL7036346 0.82 GRIK1 (0.53) GRIK1GRIK2GRIA1GRIA2GRIA3
SCHEMBL22444711 0.82 GRIK1 (0.53) GRIK1GRIK2GRIA1GRIA2GRIA3
SCHEMBL16148061 0.82 KIF11 (0.54) GRIK1GRIK2GRIA1GRIA2GRIA3

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-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 — — CN disclosed
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