SCHEMBL7764100

SCHEMBL7764100

CCC=CCC1CCOC(CCCCC)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
PRKD3 O94806 2/20 0.41
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCI P41743 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCZ Q05513 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKD1 Q15139 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ENPP2 Q13822 13/20 0.40
LPAR2 Q9HBW0 8/20 0.40

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
SCHEMBL7764093 1.00 EPHX1 (0.46) EPHX1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7764363 0.89 EPHX1 (0.34) EPHX1
SCHEMBL7764367 0.89 EPHX1 (0.34) EPHX1
SCHEMBL28218988 0.84 EPHX1 (0.55) EPHX1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7763932 0.84 CNR1 (0.33)
SCHEMBL7763924 0.84 CNR1 (0.33)
SCHEMBL2997425 0.82 EPHX1 (0.62) EPHX1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7678863 0.77 EPHX1 (0.60) EPHX1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7674359 0.77 EPHX1 (0.60) EPHX1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7760388 0.74 EPHX1 (0.56) EPHX1PRKD3PRKCGPRKCBPRKCA

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
EP-0927176-B1 1,3-DIOXANE DERIVATIVES, SYNTHESIS METHOD THEREFOR AND AROMATIC COMPOSITIONS CONTAINING SAME PERNOD RICARD (FR) 2001-05-30 EP disclosed