SCHEMBL28937745

SCHEMBL28937745

CCC(C)C(N)C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 5/20 1.00
TARS1 P26639 2/20 0.86
LARS1 Q9P2J5 2/20 0.79
SARS1 P49591 1/20 0.77

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
SCHEMBL4316150 0.93 TARS1 (1.00) IARS1TARS1LARS1SARS1
SCHEMBL21067691 0.93 TARS1 (1.00) IARS1TARS1LARS1SARS1
Alasa SCHEMBL4320823 0.91 TARS1 (0.87) IARS1TARS1LARS1SARS1
Alasa SCHEMBL21067643 0.91 TARS1 (0.87) IARS1TARS1LARS1SARS1
Alasa SCHEMBL29531843 0.91 TARS1 (0.87) IARS1TARS1LARS1SARS1
Leusa SCHEMBL29562511 0.88 LARS1 (1.00) IARS1TARS1LARS1SARS1
SCHEMBL13773209 0.88 MARS1 (0.84) IARS1TARS1LARS1SARS1
SCHEMBL13773210 0.88 MARS1 (0.84) IARS1TARS1LARS1SARS1
SCHEMBL13773211 0.88 MARS1 (0.84) IARS1TARS1LARS1SARS1
SCHEMBL3187665 0.87 SARS1 (0.87) IARS1TARS1LARS1SARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115670963-A Safe and non-irritant toothpaste and preparation method thereof 杨江淼 2023-02-03 CN disclosed
CN-115448974-A Surfactant and application thereof in daily chemical products 杨江淼 2022-12-09 CN disclosed