SCHEMBL11799052

SCHEMBL11799052

NCCCC[C@H](N)C(=O)OP(=O)(O)OP(=O)(O)O.[KH]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.44
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ DPP7 Q9UHL4 10/20 0.33
▸ DPP9 Q86TI2 6/20 0.33
▸ DPP8 Q6V1X1 6/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ RNPEP Q9H4A4 1/20 0.33
▸ FAP Q12884 1/20 0.31
▸ TERT O14746 1/20 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
SCHEMBL11799594 0.98 GSR (0.43) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL28638200 0.98 GSR (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL11803677 0.98 GSR (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL11798738 0.97 GSR (0.44) GSRGNAI3GNAO1GNAI1DPP7
Sulfuric Acid SCHEMBL27495521 0.91 GSR (0.40) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL11801571 0.87 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL874554 0.85 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL22092197 0.85 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
Fluoride SCHEMBL11671041 0.83 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL1666692 0.83 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7

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
US-3943241-A Cariostatic composition GENERAL MILLS, INC. (US) 1976-03-09 — — US disclosed
US-3932608-A 1A, 2A-AMINO ACID PHOSPHATES, CARIOSTATIC AGENTS GENERAL MILLS, INC. (US) 1976-01-13 — — US disclosed
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