SCHEMBL8949817

SCHEMBL8949817

CP(=O)(O)P(=O)(O)O.NCCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.48
GABBR1 Q9UBS5 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
THPO P40225 1/20 0.48
LMNA P02545 3/20 0.46
BLM P54132 3/20 0.46
FDPS P14324 2/20 0.42
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
GABRR1 P24046 1/20 0.39
PAOX Q6QHF9 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36

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
SCHEMBL8949921 1.00 GABBR2 (0.48) GABBR2GABBR1TSHRCYP1A2THPO
SCHEMBL7799786 0.98 GABBR2 (0.50) GABBR2GABBR1TSHRCYP1A2THPO
SCHEMBL8949690 0.91 GABBR2 (0.52) GABBR2GABBR1TSHRCYP1A2THPO
Phosphoric Acid SCHEMBL3918672 0.85 FDPS (0.48) GABBR2GABBR1TSHRCYP1A2THPO
Phosphoric Acid SCHEMBL28144890 0.85 FDPS (0.48) GABBR2GABBR1TSHRCYP1A2THPO
Phosphoric Acid SCHEMBL27508186 0.83 LMNA (0.50) GABBR2GABBR1TSHRCYP1A2THPO
SCHEMBL8949882 0.82 DNM1 (0.59) GABBR2GABBR1TSHRFDPSGABRR1
Methyl Phosphonate SCHEMBL7997691 0.80 GABBR2 (0.62) GABBR2GABBR1TSHRCYP1A2THPO
Methyl Phosphonate SCHEMBL8007050 0.80 GABBR2 (0.62) GABBR2GABBR1TSHRCYP1A2THPO
Methyl Phosphonate SCHEMBL7997370 0.80 GABBR2 (0.62) GABBR2GABBR1TSHRCYP1A2THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574024-A Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism EBETINO FRANK H (US) 1996-11-12 US disclosed
EP-0298553-B1 METHYLENE PHOSPHONOALKYLPHOSPHINATES, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM Norwich Eaton Pharmaceuticals, Inc. (US) 1992-01-15 EP disclosed
EP-0298553-A1 Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism Norwich Eaton Pharmaceuticals, Inc. (US) 1989-01-11 EP disclosed