Fluoride

Fluoride

SCHEMBL11670434

F.NCCC[C@@H](N)C(=O)OP(=O)(O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.42
▸ CA4 P22748 1/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ OTC P00480 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.32
▸ GABBR2 O75899 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ GABBR1 Q9UBS5 1/20 0.32

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
SCHEMBL8919007 0.98 GSR (0.44) GSRCA4DPP4DPP7LMNA
Fluoride SCHEMBL11671041 0.95 GSR (0.50) GSRCA4DPP4DPP7LMNA
SCHEMBL874554 0.93 GSR (0.52) GSRCA4DPP4DPP7LMNA
SCHEMBL22092197 0.93 GSR (0.52) GSRCA4DPP4DPP7LMNA
SCHEMBL5444478 0.91 GSR (0.50) GSRCA4DPP4DPP7LMNA
SCHEMBL1666692 0.91 GSR (0.50) GSRCA4DPP4DPP7LMNA
SCHEMBL11801571 0.91 GSR (0.50) GSRCA4DPP4DPP7LMNA
SCHEMBL27731459 0.91 GSR (0.50) GSRCA4DPP4DPP7LMNA
SCHEMBL28070116 0.81 GSR (0.39) GSRCA4DPP4DPP7LMNA
SCHEMBL7795517 0.80 LAP3 (0.52) DPP7

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-4064138-A Amino acid derivatives GENERAL MILLS, INC. (US) 1977-12-20 — — US claimed
US-4064138-A Amino acid derivatives GENERAL MILLS, INC. (US) 1977-12-20 — — US disclosed
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