SCHEMBL8400690

SCHEMBL8400690

CCc1cc(C(C)O)cc(C2(C)CCCCC2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8400785 0.88 RARA (0.33) RARARARBRARGGLATSHR
SCHEMBL8400766 0.86 PTGDR (0.36) RARARARBRARGGLATSHR
SCHEMBL8399180 0.82 RARA (0.33) RARARARBRARGGLATSHR
SCHEMBL8399246 0.82 GLA (0.47) RARARARBRARGGLATSHR
SCHEMBL7942419 0.80 PTGDR (0.34) RARARARBRARGGLATSHR
SCHEMBL8401709 0.79 RARA (0.31) RARARARBRARG
SCHEMBL7786557 0.77 RARB (0.47) RARARARBRARGPTGDRPTGDR2
SCHEMBL8400776 0.76 ALOX5 (0.43) RARARARBRARGGLATSHR
SCHEMBL6568848 0.76 RARB (0.36) RARARARBRARGGLATSHR
SCHEMBL7792167 0.75 PTGDR (0.43) RARARARBRARGGLATSHR

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