SCHEMBL7781406

SCHEMBL7781406

CCCCCC1OCC(C2OCC(CCC)CO2)CO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PRKD3 O94806 2/20 0.35
PRKCG P05129 2/20 0.35
PRKCB P05771 2/20 0.35
PRKCA P17252 2/20 0.35
PRKCH P24723 2/20 0.35
PRKCI P41743 2/20 0.35
PRKCE Q02156 2/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCZ Q05513 2/20 0.35
PRKCD Q05655 2/20 0.35
PRKD1 Q15139 2/20 0.35
EPHX1 P07099 1/20 0.35
ENPP2 Q13822 7/20 0.34
LPAR2 Q9HBW0 6/20 0.34
SPHK1 Q9NYA1 4/20 0.33
SPHK2 Q9NRA0 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7781400 1.00 ALDH1A1 (0.46) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7781402 1.00 ALDH1A1 (0.46) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7778847 0.95 ALDH1A1 (0.38) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7781629 0.95 ALDH1A1 (0.47) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7778851 0.95 ALDH1A1 (0.38) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7778845 0.95 ALDH1A1 (0.38) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7781633 0.95 ALDH1A1 (0.47) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7778798 0.93 ALDH1A1 (0.41) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7778794 0.93 ALDH1A1 (0.41) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7781377 0.93 ALDH1A1 (0.46) ALDH1A1PRKD3PRKCGPRKCBPRKCA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732330-B1 Di-1,3-dioxane derivatives useful as liquid crystals ROLIC AG (CH) 2001-09-12 EP disclosed
US-5667721-A Liquid crystalline di-1,3-dioxane derivatives ROLIC AG (CH) 1997-09-16 US disclosed
EP-0732330-A1 Di-1,3-dioxane derivatives useful as liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1996-09-18 EP disclosed