SCHEMBL7083231

SCHEMBL7083231

CCCCOP(=O)(OCCCC)C(=Cc1cc(C(C)(C)C)c(O)c2ccccc12)P(=O)(OCCCC)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.49
NR1I2 O75469 3/20 0.49
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
F2R P25116 2/20 0.34
GSTA1 P08263 1/20 0.34
GSTP1 P09211 1/20 0.34
PLA2G2D Q9UNK4 1/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 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
SCHEMBL7080094 0.93 HMGCR (0.51) HMGCRNR1I2MEN1GAAKMT2A
SCHEMBL6942208 0.89 HMGCR (0.63) HMGCRNR1I2MEN1GAAKMT2A
SCHEMBL7083307 0.80 HMGCR (0.76) HMGCRNR1I2MEN1GAAKMT2A
SCHEMBL7083575 0.79 HMGCR (0.63) HMGCRNR1I2MEN1GAAKMT2A
SCHEMBL9358093 0.79 HMGCR (0.48) HMGCRNR1I2GSTA1GSTP1NR5A2
SCHEMBL7084485 0.79 HMGCR (0.48) HMGCRNR1I2GSTA1GSTP1NR5A2
SCHEMBL9357630 0.79 NR1I2 (0.43) NR1I2MEN1KMT2A
SCHEMBL9358182 0.78 MEN1 (0.40) HMGCRNR1I2MEN1GAAKMT2A
SCHEMBL7083360 0.78 NR1I2 (0.45) HMGCRNR1I2MEN1KMT2AGSTA1
SCHEMBL7083282 0.77 HMGCR (0.83) HMGCRNR1I2MEN1GAAKMT2A

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-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 disclosed
EP-0418064-A2 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR S.A. (CH) 1991-03-20 EP disclosed