SCHEMBL7940459

SCHEMBL7940459

COc1c(C(C)(C)C)cc(C(CCO)C(=O)O)cc1C1(C)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KCNH2 Q12809 3/20 0.32

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
SCHEMBL7933907 0.86 RARB (0.34) RARARARBRARGPTGDRPTGDR2
SCHEMBL7933969 0.86 GLA (0.37) RARARARBRARGPTGDRPTGDR2
SCHEMBL7942419 0.85 PTGDR (0.34) RARARARBRARGPTGDRPTGDR2
SCHEMBL8400789 0.83 RARB (0.35) RARARARBRARGPTGDRPTGDR2
SCHEMBL8401709 0.78 RARA (0.31) RARARARBRARG
SCHEMBL7933932 0.78 RARA (0.49) RARARARBRARGPTGDRPTGDR2
SCHEMBL8519229 0.78
SCHEMBL7940452 0.75 PTGDR (0.41) RARARARBRARGPTGDRPTGDR2
SCHEMBL8594628 0.75 GLA (0.41) RARARARBRARGPTGDRPTGDR2
SCHEMBL7940198 0.75 RARA (0.33) RARARARBRARGPTGDRPTGDR2

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
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed