SCHEMBL8949882

SCHEMBL8949882

CCCCCCN.CP(=O)(O)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
EPHX1 P07099 1/20 0.59
GABBR2 O75899 1/20 0.54
GABRR1 P24046 1/20 0.54
GABBR1 Q9UBS5 1/20 0.54
SMPD1 P17405 2/20 0.50
FDPS P14324 1/20 0.50
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48

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
SCHEMBL8950061 0.98 GABBR2 (0.56) DNM1MEN1KMT2AALDH1A1TSHR
Butylamine SCHEMBL8949981 0.91 GABBR2 (0.58) DNM1MEN1KMT2AALDH1A1TSHR
Methyl Phosphonate SCHEMBL8008672 0.91 DNM1 (0.65) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21272021 0.91 DNM1 (0.65) DNM1MEN1KMT2AALDH1A1TSHR
Octadecylamine SCHEMBL28212235 0.91 DNM1 (0.65) DNM1MEN1KMT2AALDH1A1TSHR
Dodecylamine SCHEMBL23525472 0.88 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Phosphoric Acid SCHEMBL3406817 0.88 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Hexadecylamine SCHEMBL8378529 0.88 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Phosphoric Acid SCHEMBL9011419 0.88 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
Phosphoric Acid SCHEMBL7118141 0.88 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR

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-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