SCHEMBL8400744

SCHEMBL8400744

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
ALOX5 P09917 2/20 0.33
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
VCAM1 P19320 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
SCHEMBL8431586 0.97 OPRM1 (0.35) RARARARBRARGOPRM1OPRD1
SCHEMBL8397568 0.88 RARB (0.34) RARARARBRARGOPRM1OPRD1
SCHEMBL8400764 0.87 RARB (0.37) RARARARBRARGALOX5PTGDR
SCHEMBL8397557 0.85 VCAM1 (0.46) RARARARBRARGOPRM1OPRD1
SCHEMBL8400776 0.85 ALOX5 (0.43) RARARARBRARGALOX5PTGDR
SCHEMBL8432818 0.84 OPRM1 (0.35) RARARARBRARGOPRM1OPRD1
SCHEMBL8430378 0.82 VCAM1 (0.47) RARARARBRARGOPRM1OPRD1
SCHEMBL8401556 0.80 RARA (0.49) RARARARBRARGOPRM1OPRD1
SCHEMBL7944733 0.78 TNKS2 (0.37) RARARARBRARGPTGDRPTGDR2
SCHEMBL8400865 0.78 RARB (0.44) RARARARBRARGOPRM1OPRD1

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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed