SCHEMBL8529344

SCHEMBL8529344

O=C(O)C(CC(CCc1ncc[nH]1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.44
TBXAS1 P24557 2/20 0.43
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FOLH1 Q04609 1/20 0.32
TERT O14746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL8868503 0.88 FDPS (0.52) FDPSTBXAS1GAASMN1; SMN2FOLH1
SCHEMBL8533589 0.76 FDPS (0.40) FDPSSMN1; SMN2HTT
SCHEMBL8530904 0.76 CYP1A2 (0.45) FDPSSMN1; SMN2HTT
SCHEMBL8532197 0.76 ANPEP (0.41) FDPS
SCHEMBL8532177 0.72 FFAR1 (0.34) SMN1; SMN2
SCHEMBL8529948 0.72 FDPS (0.55) FDPSTBXAS1KDM4E
SCHEMBL8530305 0.72 FDPS (0.38) FDPSFOLH1
SCHEMBL10621413 0.71 FDPS (0.71) FDPSTBXAS1TERT
SCHEMBL8531643 0.71 FOLH1 (0.38) FDPSFOLH1
SCHEMBL9116155 0.71 TBXAS1 (0.46) FDPSTBXAS1GAASMN1; SMN2FOLH1

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
EP-0752999-B1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1998-10-28 EP disclosed
US-5698541-A DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-16 US disclosed