SCHEMBL31375382

SCHEMBL31375382

CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 4/20 1.00
▸ GRIA3 P42263 4/20 1.00
▸ GRIA4 P48058 4/20 1.00
▸ GRIK5 Q16478 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ CYP2C9 P11712 3/20 1.00
▸ CYP2C19 P33261 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ CYP2D6 P10635 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ GRIK1 P39086 3/20 0.66
▸ MAPT P10636 2/20 0.66
▸ GRIA2 P42262 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ GRIK2 Q13002 1/20 0.66
▸ GRIK3 Q13003 1/20 0.66

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
SCHEMBL13957587 1.00 GRIA1 (1.00) GRIA1GRIA3GRIA4GRIK5MEN1
(S)-Ampa SCHEMBL29407234 0.80 GRIA1 (1.00) GRIA1GRIA3GRIA4GRIK5MEN1
(R,S)-Ampa SCHEMBL6687427 0.80 GRIA1 (1.00) GRIA1GRIA3GRIA4GRIK5MEN1
(R,S)-Ampa SCHEMBL13957590 0.80 GRIA1 (1.00) GRIA1GRIA3GRIA4GRIK5MEN1
(R,S)-Ampa SCHEMBL29469983 0.78 BLM (1.00) GRIA1GRIA3GRIA4GRIK5MEN1
SCHEMBL4311779 0.70 BLM (0.60) GRIA1GRIA3GRIA4GRIK5MEN1
SCHEMBL4992380 0.70 BLM (0.60) GRIA1GRIA3GRIA4GRIK5MEN1
SCHEMBL29391008 0.68 GRIA1 (1.00) GRIA1GRIA3GRIA4GRIK5MEN1
SCHEMBL660028 0.68 CYP1A2 (1.00) GRIA1GRIA3GRIA4GRIK5MEN1
SCHEMBL11030460 0.67 GRIA1 (0.53) GRIA1GRIA3GRIA4GRIK5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120005785-A Genetically engineered bacterium for efficiently producing L-2-aminobutyric acid and construction method and application thereof 浙江工业大学 2025-05-16 — — CN disclosed
CN-119081984-B Engineering Shewanella recombinant strain capable of tolerating low pH value and construction method thereof 内蒙古工业大学 2025-05-06 — — CN disclosed
CN-119081984-A Engineering Shewanella recombinant strain capable of tolerating low pH value and construction method thereof 内蒙古工业大学 2024-12-06 — — CN disclosed
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