SCHEMBL8588591

SCHEMBL8588591

O=P(O)(O)C(Sc1ccc(Sc2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MMP1 P03956 1/20 0.43
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
SRC P12931 1/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
FDPS P14324 1/20 0.37
SLC6A4 P31645 1/20 0.37
ACP3 P15309 2/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
LAP3 P28838 3/20 0.35

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
SCHEMBL9652018 0.92 MMP2 (0.64) MMP2MMP8MMP14ALDH1A1MMP1
Diphenylsulfane SCHEMBL28287035 0.79 HPGD (0.52) ALDH1A1HPGDBCL2MCL1SRC
SCHEMBL8855634 0.77 SRC (0.67) ALDH1A1HPGDBCL2MCL1SRC
Tiludronic Acid SCHEMBL18988 0.76 MMP2 (1.00) MMP2MMP8MMP14HPGDMMP1
SCHEMBL8589347 0.76 MMP2 (0.66) MMP2MMP8MMP14ALDH1A1HPGD
SCHEMBL2149971 0.76 MMP2 (0.66) MMP2MMP8MMP14ALDH1A1MMP1
SCHEMBL10788079 0.76 MMP8 (0.66) MMP2MMP8MMP14ALDH1A1HPGD
SCHEMBL7761461 0.76 MMP2 (0.55) MMP2MMP8MMP14MMP1ACP3
Diphenylsulfane SCHEMBL9028896 0.74 HPGD (0.54) ALDH1A1HPGDBCL2MCL1SRC
SCHEMBL2150897 0.74 MMP2 (0.63) MMP2MMP8MMP14ALDH1A1MMP1

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