SCHEMBL8401559

SCHEMBL8401559

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KMT2A Q03164 2/20 0.39
ALOX5 P09917 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
YWHAG P61981 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL7944862 0.89 RARA (0.45) RARARARBRARGPTGDRPTGDR2
SCHEMBL8400868 0.87 YWHAG (0.47) RARARARBRARGPTGDRPTGDR2
SCHEMBL7786595 0.83 RARA (0.55) RARARARBRARGPTGDRPTGDR2
SCHEMBL7940436 0.81 RARA (0.55) RARARARBRARGPTGDRPTGDR2
SCHEMBL8397569 0.81 KMT2A (0.41) RARARARBRARGPTGDRPTGDR2
SCHEMBL6566996 0.80 RARA (0.48) RARARARBRARGPTGDRPTGDR2
SCHEMBL8400745 0.80 KMT2A (0.40) RARARARBRARGPTGDRPTGDR2
SCHEMBL8397560 0.78 KMT2A (0.39) RARARARBRARGPTGDRPTGDR2
SCHEMBL6567017 0.78 RARA (0.46) RARARARBRARGPTGDRPTGDR2
SCHEMBL7933829 0.78 GLA (0.38) 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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed