SCHEMBL8529288

SCHEMBL8529288

N#Cc1ccc(C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.43
MMP2 P08253 3/20 0.39
EPHX2 P34913 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP13 P45452 3/20 0.33
PRSS1 P07477 2/20 0.33
CTSG P08311 2/20 0.33
CTRB1 P17538 2/20 0.33
CMA1 P23946 2/20 0.33
MMP12 P39900 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EEF2K O00418 1/20 0.33
PTPN1 P18031 1/20 0.33
HTT P42858 1/20 0.32
GSK3B P49841 2/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL8532434 0.85 GRM4 (0.40) PTPN5PTPN1HTTGSK3BPTGDR2
SCHEMBL8528407 0.83 PTPN1 (0.41) PTPN5GAAPTPN1
SCHEMBL8531845 0.82 MEN1 (0.38) EPHX2MEN1KMT2AL3MBTL1PTPN1
SCHEMBL8529423 0.82 KIF11 (0.38) MMP2GAAMAPTPTPN1
SCHEMBL8532541 0.80 ALDH1A1 (0.33) MMP2PTPN1
SCHEMBL8532545 0.79 KIF11 (0.40) MMP2EPHX2MEN1KMT2AMMP13
SCHEMBL8530829 0.79 ALDH1A1 (0.40) KDM4EGAAMAPTL3MBTL1HTT
SCHEMBL8531385 0.78 GRM4 (0.39) EPHX2MAPTPTPN1PTGDR2
SCHEMBL8528404 0.77 FDPS (0.38) PTPN5
SCHEMBL8529305 0.77 PTPN5 (0.47) PTPN5MMP2KMT2AMMP13KDM4E

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