SCHEMBL8587485

SCHEMBL8587485

Cc1csc(CC(P(=O)(O)O)P(=O)(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.41
PGK1 P00558 3/20 0.36
PGK2 P07205 3/20 0.36
DAO P14920 1/20 0.36
GGPS1 O95749 4/20 0.35
PDE10A Q9Y233 2/20 0.33
KDM4C Q9H3R0 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
SCHEMBL8589070 0.77 HMGCR (0.44) DAOPDE10A
SCHEMBL13841336 0.72 DAO (0.34) DAOKDM4C
SCHEMBL3465792 0.69 TAAR1 (0.34)
SCHEMBL28221583 0.69 DAO (0.39) DAOPDE10AKDM4C
SCHEMBL12000 0.68
SCHEMBL27942177 0.67 DAO (0.47) DAOPDE10AKDM4C
SCHEMBL7493183 0.67 DAO (0.37) DAOPDE10AKDM4C
SCHEMBL9656889 0.67 CYP2C19 (0.56) FDPS
SCHEMBL9658614 0.67 FDPS (0.44) FDPS
SCHEMBL9657436 0.67 FDPS (0.44) FDPSGGPS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594857-B1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-04-29 EP disclosed
US-5683992-A TREATMENT OF RHEUMATISM, BONE DISORDERS, ANTIINFLAMMATORY, SUPPRESSION OF INTERLEUKIN-1, ANTIOXIDANT, TREATMENT OF AUTOIMMUNE DISEASES TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed
EP-0594857-A1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-05-04 EP disclosed