SCHEMBL5669296

SCHEMBL5669296

CCC(CC)(C(=O)/C=C/c1cc(C(C)(C)C)c(O)c2c1CCCC2)P(=O)(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
HMGCR P04035 3/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
GPR55 Q9Y2T6 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL5669298 1.00 GABBR2 (0.33) GABBR2GABBR1HMGCRNR1I2LMNA
SCHEMBL5667553 0.89 TNFRSF1A (0.33)
SCHEMBL5667557 0.89 TNFRSF1A (0.33)
SCHEMBL6681383 0.87 GABBR2 (0.35) GABBR2GABBR1HMGCRNR1I2GPR55
SCHEMBL5665914 0.87 GABBR2 (0.35) GABBR2GABBR1HMGCRNR1I2GPR55
SCHEMBL5666377 0.85 GABBR2 (0.34) GABBR2GABBR1PTPN1
SCHEMBL6671485 0.85 GABBR2 (0.34) GABBR2GABBR1PTPN1
SCHEMBL5667689 0.82 HMGCR (0.40) GABBR2GABBR1HMGCRNR1I2LMNA
SCHEMBL5667694 0.82 HMGCR (0.40) GABBR2GABBR1HMGCRNR1I2LMNA
SCHEMBL5665870 0.80 HMGCR (0.38) GABBR2GABBR1HMGCRNR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551418-A4 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RES SARL (CH) 2006-05-03 EP claimed
JP-2006504697-A 2006-02-09 JP claimed
EP-1551418-A1 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY Ilex Oncology Research Sàrl (CH) 2005-07-13 EP claimed
WO-2004026315-A1 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed
WO-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed
WO-2004026242-A2 SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed
EP-1551418-A4 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RES SARL (CH) 2006-05-03 EP disclosed
EP-1551418-A1 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY Ilex Oncology Research Sàrl (CH) 2005-07-13 EP disclosed
WO-2004026315-A1 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed
WO-2004026242-A2 SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed