SCHEMBL9501516

SCHEMBL9501516

O=P(O)(O)C(O)(CCNCCCC(c1ccc(F)cc1)c1ccc(F)cc1)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.54
SCN5A Q14524 1/20 0.48
CACNA1B Q00975 2/20 0.42
SLC6A3 Q01959 4/20 0.40
EPHX2 P34913 5/20 0.38
VPS4B O75351 1/20 0.38
VCP P55072 1/20 0.38

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
Hydrochloric Acid SCHEMBL9501139 0.73 SCN5A (0.53) SCN5ACACNA1BSLC6A3EPHX2
SCHEMBL9499871 0.71 FDPS (1.00) FDPS
SCHEMBL9394777 0.70 FDPS (1.00) FDPS
Bromide SCHEMBL11583932 0.69 SCN5A (0.55) SCN5ACACNA1BSLC6A3EPHX2VPS4B
SCHEMBL9151249 0.69 FDPS (1.00) FDPS
SCHEMBL9730756 0.68 FDPS (0.56) FDPS
SCHEMBL9554607 0.68 LTA4H (0.48) SCN5ACACNA1BSLC6A3
SCHEMBL9500738 0.67 FDPS (1.00) FDPS
SCHEMBL11583277 0.67 HTR2A (0.69) SCN5ACACNA1BSLC6A3EPHX2
SCHEMBL7389383 0.67 CACNA1B (0.54) CACNA1BSLC6A3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320455-A1 Araliphatyl aminoalcane diphosphonic acids CIBA-GEIGY AG (CH) 1989-06-14 EP claimed
EP-0320455-B1 ARALIPHATYL AMINOALCANE DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0320455-A1 Araliphatyl aminoalcane diphosphonic acids CIBA-GEIGY AG (CH) 1989-06-14 EP disclosed