SCHEMBL8528404

SCHEMBL8528404

O=C(O)C(CC(C(=O)O)(c1ccc(Cl)c(Cl)c1)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TSHR P16473 2/20 0.36
KIF11 P52732 1/20 0.36
KMO O15229 2/20 0.35
PTPN5 P54829 2/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33

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
SCHEMBL8531845 0.83 MEN1 (0.38) TSHRKIF11
SCHEMBL8528275 0.82 PTPN1 (0.48) KIF11
SCHEMBL8528407 0.81 PTPN1 (0.41) FDPSKIF11PTPN5
SCHEMBL8529423 0.81 KIF11 (0.38) MMP8CA14KIF11
SCHEMBL8531404 0.78 SORT1 (0.35) FDPSSORT1
SCHEMBL8532545 0.77 KIF11 (0.40) KIF11
SCHEMBL8530829 0.77 ALDH1A1 (0.40) TSHR
SCHEMBL8529288 0.77 PTPN5 (0.43) PTPN5
SCHEMBL8531385 0.76 GRM4 (0.39) KIF11
SCHEMBL8532434 0.76 GRM4 (0.40) KIF11PTPN5

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