SCHEMBL5667945

SCHEMBL5667945

COc1c(C(C)(C)C)cc(/C=C/C(=O)C(C)(C)P(=O)(OC(C)C)OC(C)C)c2c1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.33
HMGCR P04035 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5667947 1.00 TNFRSF1A (0.33) TNFRSF1AHMGCRHPGDALDH1A1TP53
SCHEMBL5669835 0.86 TNFRSF1A (0.36) TNFRSF1A
SCHEMBL5669840 0.86 TNFRSF1A (0.36) TNFRSF1A
SCHEMBL5667579 0.86 TNFRSF1A (0.33) TNFRSF1AHMGCR
SCHEMBL5667576 0.86 TNFRSF1A (0.33) TNFRSF1AHMGCR
SCHEMBL5662849 0.82 TNFRSF1A (0.34) TNFRSF1A
SCHEMBL5668154 0.81 TNFRSF1A (0.35) TNFRSF1AHPGDALDH1A1TP53MAPK1
SCHEMBL5663920 0.81 RXRA (0.38) TNFRSF1AHMGCRTP53
SCHEMBL5668157 0.81 TNFRSF1A (0.35) TNFRSF1AHPGDALDH1A1TP53MAPK1
SCHEMBL5667234 0.80 TNFRSF1A (0.34) TNFRSF1AHPGDALDH1A1TP53MAPK1

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-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO 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