SCHEMBL8399065

SCHEMBL8399065

CCC(O)c1ccc(OC)c(C2(C)CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 2/20 0.40
SLC22A3 O75751 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8397564 0.85 RARA (0.49) RARARARBRARGPTGDRPTGDR2
SCHEMBL8397559 0.83 RARB (0.42) RARARARBRARGCYP3A4TSHR
SCHEMBL8401420 0.77 GLA (0.33) RARARARBRARGPTGDRPTGDR2
SCHEMBL8397573 0.77 RARA (0.54) RARARARBRARGPTGDRPTGDR2
SCHEMBL8400785 0.76 RARA (0.33) RARARARBRARGPTGDRPTGDR2
SCHEMBL6055371 0.76 PPARG (0.61) CYP3A4TSHRNFKB1SLC22A3BLM
SCHEMBL7933932 0.75 RARA (0.49) RARARARBRARGPTGDRPTGDR2
SCHEMBL8519229 0.74
SCHEMBL8400761 0.72 GLA (0.44) RARBRARGPTGDRPTGDR2TSHR
SCHEMBL6566996 0.72 RARA (0.48) 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