SCHEMBL8588593

SCHEMBL8588593

O=P(O)(O)C(Sc1cc(-c2ccccc2)cs1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.41
ACP3 P15309 3/20 0.41
MMP8 P22894 3/20 0.39
MMP14 P50281 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MMP2 P08253 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
SRC P12931 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN5 P54829 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
SCHEMBL7041439 0.73 FDPS (0.42) FDPSACP3MMP8MMP14MMP2
SCHEMBL8855652 0.72 SRC (0.46) FDPSACP3MMP8MMP14CA14
SCHEMBL8588923 0.72 HDAC6 (0.42) HDAC6NPC1RAB9AMMP12
SCHEMBL8589354 0.71 FDPS (0.40) FDPSMMP8MMP14MMP2
SCHEMBL10483995 0.69 FDPS (0.49) FDPSMMP8MMP14CA14CA2
SCHEMBL7302926 0.69 CPA1 (0.44) MMP8MMP14HDAC6MMP2NPC1
SCHEMBL3282701 0.69 HDAC6 (0.40) HDAC6NPC1RAB9A
SCHEMBL27317889 0.69 HDAC6 (0.40) HDAC6NPC1RAB9A
SCHEMBL9652018 0.68 MMP2 (0.64) FDPSACP3MMP8MMP14CA14
SCHEMBL8588595 0.68 SRC (0.41) FDPSACP3MMP8MMP14CA14

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