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Sugi Predict / Compounds / SCHEMBL6683401

SCHEMBL6683401

SCHEMBL6683401

CCOP(=O)(CC)OC(C)(C)C(=O)C=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.35
▸ PPARG P37231 5/20 0.35
▸ RARG P13631 3/20 0.35
▸ HMGCR P04035 2/20 0.35
▸ TNFRSF1A P19438 2/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL5664303 0.90 RXRA (0.35) RXRAPPARGRARGHMGCRTNFRSF1A
SCHEMBL5667118 0.90 RXRA (0.35) RXRAPPARGRARGHMGCRTNFRSF1A
SCHEMBL5671320 0.88 HMGCR (0.40) RXRAPPARGRARGHMGCRNR1I2
SCHEMBL5663755 0.87 RXRA (0.36) RXRAPPARGRARGHMGCRTNFRSF1A
SCHEMBL5668478 0.83 RARG (0.39) RXRAPPARGRARGTNFRSF1A
SCHEMBL6671237 0.82 RXRA (0.34) RXRAPPARGRARGHMGCRTNFRSF1A
SCHEMBL5669988 0.80 HMGCR (0.49) RXRAHMGCRNR1I2L3MBTL1
SCHEMBL5665321 0.78 HMGCR (0.38) RXRAPPARGRARGHMGCRNR1I2
SCHEMBL5663808 0.78 HMGCR (0.38) RXRAPPARGRARGHMGCRNR1I2
SCHEMBL6686592 0.78 HMGCR (0.36) RXRAPPARGRARGHMGCRTNFRSF1A

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 1 patent. 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 disclosed