SCHEMBL7082799

SCHEMBL7082799

CCOP(=O)(OCC)C(CC)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.57
NR1I2 O75469 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
BLM P54132 2/20 0.48
ATM Q13315 2/20 0.48
HIF1A Q16665 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
LMNA P02545 3/20 0.46
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL7517305 0.83 HMGCR (0.58) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL7517900 0.82 ALDH1A1 (0.53) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL7086459 0.77 HMGCR (0.57) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL39364 0.76 HMGCR (0.62) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL45804 0.76 HMGCR (0.62) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL12660721 0.75 HMGCR (0.61) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL225937 0.75 HMGCR (0.61) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL134656 0.75 HMGCR (0.61) HMGCRNR1I2ALDH1A1KMT2AMEN1
SCHEMBL564169 0.75 HMGCR (0.61) HMGCRNR1I2ALDH1A1KMT2AMEN1
Potassium SCHEMBL4892236 0.75 HMGCR (0.61) HMGCRNR1I2ALDH1A1KMT2AMEN1

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 8 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
US-6127350-A FOR TREATMENT AND PREVENTION OF RAS ONCOGENE DEPENDENT CANCERS AND METASTATIC INVASIONS SYMPHAR S.A. (SE) 2000-10-03 US 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