SCHEMBL7944862

SCHEMBL7944862

COc1ccc(CCC(=O)OCCO)cc1C1(C)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALOX5 P09917 2/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
S1PR1 P21453 1/20 0.40
APP P05067 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OR51E2 Q9H255 1/20 0.36
CYP19A1 P11511 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL8401559 0.89 RARA (0.47) RARARARBRARGALOX5PTGDR
SCHEMBL7943184 0.87 APP (0.51) RARARARBRARGCHRM5CHRM1
SCHEMBL7796541 0.83 RARA (0.53) RARARARBRARGPTGDRPTGDR2
SCHEMBL6566996 0.83 RARA (0.48) RARARARBRARGPTGDRPTGDR2
SCHEMBL7933878 0.81 ALDH1A1 (0.40) RARARARBRARGALOX5S1PR1
SCHEMBL6567017 0.81 RARA (0.46) RARARARBRARGALOX5PTGDR
SCHEMBL7941069 0.81 ALDH1A1 (0.37) RARARARBRARGALOX5S1PR1
SCHEMBL7940436 0.79 RARA (0.55) RARARARBRARGPTGDRPTGDR2
SCHEMBL7933946 0.79 ALDH1A1 (0.36) RARARARBRARGALOX5S1PR1
SCHEMBL7943238 0.79 ALOX5 (0.37) RARBRARGALOX5PTGDRPTGDR2

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
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
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed