SCHEMBL28420374

SCHEMBL28420374

C=CCC(C[C@H](N)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 4/20 0.57
▸ GRIK1 P39086 9/20 0.56
▸ GRIK2 Q13002 8/20 0.56
▸ SLC1A3 P43003 2/20 0.55
▸ SLC1A2 P43004 1/20 0.52
▸ GRM2 Q14416 1/20 0.46
▸ GRM3 Q14832 1/20 0.46
▸ SLC15A1 P46059 1/20 0.45
▸ ALPI P09923 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ GRIK3 Q13003 1/20 0.43

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
SCHEMBL28415850 1.00 SLC1A1 (0.57) SLC1A1GRIK1GRIK2SLC1A3SLC1A2
SCHEMBL12253535 0.93 SLC1A1 (0.48) SLC1A1GRIK1GRIK2SLC1A3SLC1A2
SCHEMBL12305105 0.83 HSD17B10 (0.49) —
SCHEMBL27533978 0.83 ALDH1A1 (0.47) SLC1A1SLC1A3SLC1A2SLC15A1ALPI
SCHEMBL8257115 0.83 ALDH1A1 (0.47) SLC1A1SLC1A3SLC1A2SLC15A1ALPI
SCHEMBL13923722 0.82 ALDH1A1 (0.45) SLC15A1
SCHEMBL7319419 0.81 CYP1A2 (0.49) SLC15A1
Hydrochloric Acid SCHEMBL27697735 0.81 IDO1 (0.46) SLC1A1SLC1A3SLC1A2SLC15A1ALPI
Hydrochloric Acid SCHEMBL2528757 0.81 IDO1 (0.46) SLC1A1SLC1A3SLC1A2SLC15A1ALPI
SCHEMBL7319425 0.81 CYP1A2 (0.49) SLC15A1

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-111187340-A Cationic α -helical Polypeptides 苏州大学 2020-05-22 — — CN claimed
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