SCHEMBL7083575

SCHEMBL7083575

CC(C)OP(=O)(OC(C)C)C(=Cc1cc(C(C)(C)C)c(O)c2ccccc12)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.63
NR1I2 O75469 2/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALOX5 P09917 2/20 0.32
PTGS2 P35354 2/20 0.32
TNFRSF1A P19438 1/20 0.32
SYK P43405 1/20 0.32
PTPN1 P18031 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6942208 0.83 HMGCR (0.63) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL9358182 0.82 MEN1 (0.40) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL7080094 0.81 HMGCR (0.51) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL7083231 0.79 HMGCR (0.49) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL6942222 0.78 HMGCR (0.48) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL7080149 0.78 HMGCR (0.42) HMGCR
SCHEMBL7080302 0.78 HMGCR (1.00) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL9358094 0.77 HMGCR (0.62) HMGCRNR1I2ALDH1A1
SCHEMBL9358736 0.77 HMGCR (0.44) HMGCRNR1I2KMT2AALDH1A1L3MBTL1
SCHEMBL7129381 0.73 HMGCR (0.85) HMGCRNR1I2KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326618-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES Ilex Oncology Research S.A. (CH) 2003-07-16 EP claimed
WO-2002011704-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES SYMPHAR S.A. (CH) 2002-02-14 WO claimed
EP-0418064-B1 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR SA (CH) 1994-12-14 EP claimed
US-5204336-A Anticholestrol agents SYMPHAR S.A. (CH) 1993-04-20 US claimed
EP-0418064-A2 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR S.A. (CH) 1991-03-20 EP claimed