SCHEMBL8400865

SCHEMBL8400865

CC1(c2cc(OC(=O)CCCO)ccc2O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
RARA P10276 1/20 0.40
OPRM1 P35372 14/20 0.38
OPRD1 P41143 14/20 0.38
OPRK1 P41145 14/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PTPN11 Q06124 1/20 0.36
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35

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
SCHEMBL8401556 0.87 RARA (0.49) RARBRARGRARAOPRM1OPRD1
SCHEMBL8401696 0.84 RARB (0.48) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8430349 0.83 RARA (0.48) RARBRARGRARAOPRM1OPRD1
SCHEMBL8400746 0.80 VCAM1 (0.50) RARBRARGOPRM1OPRD1OPRK1
SCHEMBL8401653 0.80 RARB (0.51) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8397568 0.79 RARB (0.34) RARBRARGRARAOPRM1OPRD1
SCHEMBL8400744 0.78 RARA (0.34) RARBRARGRARAOPRM1OPRD1
SCHEMBL8397557 0.76 VCAM1 (0.46) RARBRARGRARAOPRM1OPRD1
SCHEMBL8432818 0.75 OPRM1 (0.35) RARBRARGRARAOPRM1OPRD1
SCHEMBL8431586 0.75 OPRM1 (0.35) RARBRARGRARAOPRM1OPRD1

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