SCHEMBL6685260

SCHEMBL6685260

CCC(CC)(OP(C)(=O)OC)C(=O)C=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.36
PPARG P37231 6/20 0.36
RARG P13631 4/20 0.36
TNFRSF1A P19438 2/20 0.34

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
SCHEMBL5668493 0.89 ALOX5 (0.39)
SCHEMBL5668478 0.87 RARG (0.39) RXRAPPARGRARGTNFRSF1A
SCHEMBL5663415 0.85 RXRA (0.38) RXRAPPARGRARGTNFRSF1A
SCHEMBL5667374 0.85 RXRA (0.38) RXRAPPARGRARGTNFRSF1A
SCHEMBL6685293 0.81 HMGCR (0.41) RXRA
SCHEMBL5662810 0.79 RXRA (0.38) RXRAPPARGRARGTNFRSF1A
SCHEMBL6680912 0.78 RXRA (0.41) RXRAPPARGRARGTNFRSF1A
SCHEMBL5662542 0.78 RXRA (0.41) RXRAPPARGRARGTNFRSF1A
SCHEMBL6683401 0.77 RXRA (0.35) RXRAPPARGRARGTNFRSF1A
SCHEMBL5667943 0.77 ALOX5 (0.41) RXRAPPARGRARGTNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026242-A2 SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION 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 disclosed