SCHEMBL8529360

SCHEMBL8529360

Cc1cccc(C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.38
FDFT1 P37268 1/20 0.38
P2RX7 Q99572 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
CTSA P10619 1/20 0.31
GLA P06280 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
GRM5 P41594 2/20 0.31
ACP3 P15309 1/20 0.31
RAB9A P51151 4/20 0.31
NPC1 O15118 3/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8531520 0.79 FOLH1 (0.30)
SCHEMBL8528407 0.76 PTPN1 (0.41) FDPSPGK1PGK2ACP3
SCHEMBL8531404 0.75 SORT1 (0.35) FDPS
SCHEMBL8529423 0.75 KIF11 (0.38) RAB9ANPC1MAPT
SCHEMBL8528190 0.73 ACP3 (0.48) FDPSACP3
SCHEMBL8531847 0.72 FDPS (0.38) FDPSFDFT1P2RX7HTTRAB9A
SCHEMBL8532194 0.72 FDPS (0.45) FDPS
SCHEMBL8532545 0.72 KIF11 (0.40) MEN1KMT2A
SCHEMBL8527227 0.72 KIF11 (0.40) PGK1PGK2ACP3
SCHEMBL8532218 0.72 FOLH1 (0.31)

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