Phosphonic Acid

Phosphonic Acid

SCHEMBL11043576

CCCCCCCCCCCCN=C(N)S.O=[PH](O)O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LMNA P02545 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
SLC2A1 P11166 2/20 0.36
NAAA Q02083 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
NOS1 P29475 1/20 0.36
USP2 O75604 3/20 0.35

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
SCHEMBL11039593 0.90 MEN1 (0.67) MEN1KMT2APRSS1PRSS2PRSS3
Bromide SCHEMBL11045675 0.90 MEN1 (0.67) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL11038146 0.90 MEN1 (0.67) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL7130947 0.88
Hydrochloric Acid SCHEMBL9168168 0.86 MEN1 (0.60) MEN1KMT2APRSS1PRSS2PRSS3
Methyl Phosphonate SCHEMBL11037660 0.83 MEN1 (0.53) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL7067832 0.81
Hydrochloric Acid SCHEMBL9177146 0.79
SCHEMBL11037112 0.79 PRSS1 (0.41) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL11060772 0.78 DHPS (0.48) MEN1KMT2ACYP1A2ALOX15

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
US-4435381-A ANTICARIES AGENTS, MOUTHWASHES THE DOW CHEMICAL COMPANY (US) 1984-03-06 US disclosed