SCHEMBL7083282

SCHEMBL7083282

CCCCOP(=O)(OCCCC)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.83
NR1I2 O75469 3/20 0.83
LMNA P02545 3/20 0.39
RECQL P46063 3/20 0.39
MEN1 O00255 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
BLM P54132 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
RGS12 O14924 2/20 0.39
GMNN O75496 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL7083307 0.96 HMGCR (0.76) HMGCRNR1I2LMNARECQLMEN1
SCHEMBL678403 0.91 HMGCR (1.00) HMGCRNR1I2LMNARECQLMEN1
SCHEMBL7521931 0.89 HMGCR (0.80) HMGCRNR1I2LMNARECQLMEN1
SCHEMBL7134494 0.84 HMGCR (0.85) HMGCRNR1I2LMNARECQLMEN1
SCHEMBL7137096 0.83 HMGCR (0.83) HMGCRNR1I2LMNARECQLMEN1
SCHEMBL12160467 0.79 HMGCR (0.77) HMGCRNR1I2LMNARECQLMEN1
SCHEMBL7078823 0.78 HMGCR (0.75) HMGCRNR1I2LMNARECQLMEN1
SCHEMBL7083231 0.77 HMGCR (0.49) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL7522654 0.76 HMGCR (0.71) HMGCRNR1I2LMNARECQLCYP1A2
SCHEMBL9358093 0.76 HMGCR (0.48) HMGCRNR1I2NR5A2NR5A1

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 7 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-0845991-B1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR SA (CH) 2002-02-06 EP claimed
EP-0845991-A2 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR S.A. (CH) 1998-06-10 EP claimed
WO-1997004785-A1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR S.A. (CH) 1997-02-13 WO claimed
US-5128331-A Gen-diphosphonates SYMPHAR S.A. (CH) 1992-07-07 US disclosed
US-5043330-A Antiinflammatory and hypotensive agents; antihyperlipemia SYMPHAR S.A. (CH) 1991-08-27 US disclosed