SCHEMBL5669840

SCHEMBL5669840

COc1c(C(C)(C)C)cc(C=CC(=O)C(C)(C)P(=O)(O)O)c2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.36
PTPN1 P18031 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL5669835 1.00 TNFRSF1A (0.36) TNFRSF1APTPN1MEN1KMT2ANFE2L2
SCHEMBL5667910 0.87 TNFRSF1A (0.33) TNFRSF1APTPN1
SCHEMBL5667912 0.87 TNFRSF1A (0.33) TNFRSF1APTPN1
SCHEMBL5667576 0.86 TNFRSF1A (0.33) TNFRSF1A
SCHEMBL5667947 0.86 TNFRSF1A (0.33) TNFRSF1A
SCHEMBL5667579 0.86 TNFRSF1A (0.33) TNFRSF1A
SCHEMBL5667945 0.86 TNFRSF1A (0.33) TNFRSF1A
SCHEMBL5669993 0.85 GABBR2 (0.37) TNFRSF1A
SCHEMBL5669996 0.85 GABBR2 (0.37) TNFRSF1A
SCHEMBL5662849 0.84 TNFRSF1A (0.34) TNFRSF1APTPN1

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-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-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES 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