SCHEMBL5667374

SCHEMBL5667374

COc1c(C=CC(=O)C(F)(F)OP(C)(=O)OC)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.38
PPARG P37231 8/20 0.38
RARG P13631 4/20 0.38
TNFRSF1A P19438 2/20 0.35
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
MAOB P27338 1/20 0.32
ALOX5 P09917 1/20 0.30
PTGS2 P35354 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
SCHEMBL5663415 0.91 RXRA (0.38) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL5668478 0.89 RARG (0.39) RXRAPPARGRARGTNFRSF1AALOX5
SCHEMBL6685260 0.85 RXRA (0.36) RXRAPPARGRARGTNFRSF1A
SCHEMBL5667118 0.83 RXRA (0.35) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL6680912 0.80 RXRA (0.41) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL5662542 0.80 RXRA (0.41) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL5662810 0.79 RXRA (0.38) RXRAPPARGRARGTNFRSF1ARARA
Butane SCHEMBL5667116 0.78 RXRA (0.36) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL5663900 0.78 RXRA (0.38) RXRAPPARGRARGTNFRSF1ARARA
SCHEMBL5664303 0.77 RXRA (0.35) RXRAPPARGRARGTNFRSF1ARARA

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-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed
WO-2004026315-A1 SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY 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
WO-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed