SCHEMBL8589347

SCHEMBL8589347

CC(C)Sc1ccc(SC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.66
MMP8 P22894 1/20 0.66
MMP14 P50281 1/20 0.66
MMP1 P03956 1/20 0.46
FDPS P14324 2/20 0.39
XDH P47989 1/20 0.34
LMNA P02545 4/20 0.33
TSHR P16473 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
XBP1 P17861 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB11 O95342 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
SCHEMBL10788079 0.83 MMP8 (0.66) MMP2MMP8MMP14MMP1FDPS
SCHEMBL2149971 0.83 MMP2 (0.66) MMP2MMP8MMP14MMP1FDPS
SCHEMBL2150897 0.82 MMP2 (0.63) MMP2MMP8MMP14MMP1FDPS
SCHEMBL26135898 0.82 MMP2 (0.63) MMP2MMP8MMP14MMP1FDPS
Tiludronic Acid SCHEMBL18988 0.79 MMP2 (1.00) MMP2MMP8MMP14MMP1FDPS
SCHEMBL7177633 0.79 MMP2 (0.59) MMP2MMP8MMP14MMP1FDPS
SCHEMBL8588143 0.79 MMP2 (0.59) MMP2MMP8MMP14MMP1FDPS
SCHEMBL9652018 0.78 MMP2 (0.64) MMP2MMP8MMP14MMP1FDPS
Tiludronic Acid SCHEMBL3628467 0.78 MMP2 (0.96) MMP2MMP8MMP14MMP1FDPS
SCHEMBL8161616 0.77 MMP2 (0.62) MMP2MMP8MMP14MMP1FDPS

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