SCHEMBL28622708

SCHEMBL28622708

CCC(N)C(=O)OC(=O)CC(C)N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ GRIK3 Q13003 1/20 0.32
▸ GRIK5 Q16478 1/20 0.32
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ GRIK2 Q13002 1/20 0.31
▸ GABRP O00591 2/20 0.30
▸ GABRD O14764 2/20 0.30
▸ GABRA1 P14867 2/20 0.30
▸ GABRB1 P18505 2/20 0.30
▸ GABRG2 P18507 2/20 0.30
▸ GABRB3 P28472 2/20 0.30
▸ GABRA5 P31644 2/20 0.30
▸ GABRA3 P34903 2/20 0.30
▸ GABRA2 P47869 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ GABRA4 P48169 2/20 0.30
▸ GABRE P78334 2/20 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
SCHEMBL28788296 0.83 NAAA (0.35) GRIK1GRIA4GRIK3GRIK5SLC1A3
SCHEMBL27388377 0.83 NAAA (0.35) GRIK1GRIA4GRIK3GRIK5SLC1A3
SCHEMBL27643499 0.81 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15655345 0.81 ALDH1A1 (0.42) GRIK1GRIA4GRIK3GRIK5SLC1A3
SCHEMBL23777420 0.80 SLC1A3 (0.39) GRIK1GRIA4GRIK3GRIK5SLC1A3
SCHEMBL27510638 0.79 ALDH1A1 (0.39) GRIK1GRIA4GRIK3GRIK5GABRP
Hydrochloric Acid SCHEMBL27938118 0.78 SLC1A3 (0.38) GRIK1GRIA4GRIK3GRIK5SLC1A3
SCHEMBL23777422 0.78 ALDH1A1 (0.56) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL10453681 0.77 SLC1A3 (0.34) GRIK1GRIA4GRIK3GRIK5SLC1A3
SCHEMBL25212053 0.76 DGKA (0.44) —

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-113286884-A Novel CAS12B enzymes and systems 博德研究所 2021-08-20 — — CN disclosed
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