SCHEMBL8400766

SCHEMBL8400766

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RARB P10826 4/20 0.36
RARG P13631 4/20 0.36
RARA P10276 3/20 0.36
PTGS2 P35354 6/20 0.35
AKR1C3 P42330 5/20 0.35
AKR1C2 P52895 5/20 0.35
PTGS1 P23219 3/20 0.35
TSHR P16473 2/20 0.35
CDC42 P60953 1/20 0.35
RAC1 P63000 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
GLA P06280 1/20 0.32
ALOX12 P18054 1/20 0.32
TP53 P04637 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL8400690 0.86 RARA (0.33) PTGDRPTGDR2RARBRARGRARA
SCHEMBL8401582 0.85 AKR1C3 (0.39) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7942419 0.84 PTGDR (0.34) PTGDRPTGDR2RARBRARGRARA
SCHEMBL8400760 0.84 TSHR (0.44) PTGDRPTGDR2RARBRARGRARA
SCHEMBL8400785 0.82 RARA (0.33) PTGDRPTGDR2RARBRARGRARA
SCHEMBL8400789 0.82 RARB (0.35) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7786557 0.80 RARB (0.47) PTGDRPTGDR2RARBRARGRARA
SCHEMBL7792167 0.78 PTGDR (0.43) PTGDRPTGDR2RARBRARGRARA
SCHEMBL8397573 0.76 RARA (0.54) PTGDRPTGDR2RARBRARGRARA
SCHEMBL8400776 0.76 ALOX5 (0.43) PTGDRPTGDR2RARBRARGRARA

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