SCHEMBL8528190

SCHEMBL8528190

O=C(O)C(CC(C(=O)O)(c1cccc2ccccc12)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 8/20 0.48
KIF11 P52732 1/20 0.40
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTPRC P08575 1/20 0.36
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL8528407 0.79 PTPN1 (0.41) ACP3KIF11FDPS
SCHEMBL8528014 0.79 SMN1; SMN2 (0.40)
SCHEMBL8528275 0.77 PTPN1 (0.48) ACP3KIF11CTSGCMA1
SCHEMBL8529360 0.73 FDPS (0.38) ACP3FDPS
SCHEMBL8527312 0.72 ACP3 (0.34) ACP3TDP1
SCHEMBL8527624 0.71 CYP2C19 (0.38)
SCHEMBL8531845 0.70 MEN1 (0.38) KIF11
SCHEMBL8529423 0.70 KIF11 (0.38) KIF11CA12MMP2MMP8CA14
SCHEMBL8532194 0.70 FDPS (0.45) TDP1FDPS
SCHEMBL8532542 0.70 ACP3 (0.33) ACP3

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