SCHEMBL7781499

SCHEMBL7781499

CCCCC1COC(C2COC(CCc3ccc(OCC(F)(F)F)cc3)OC2)OC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.33
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SPHK2 Q9NRA0 4/20 0.31
SPHK1 Q9NYA1 3/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP2 Q13822 2/20 0.30

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
SCHEMBL7781496 1.00 LIPE (0.33) LIPECARM1PRMT6PSEN1PSEN2
SCHEMBL8885940 0.94 LIPE (0.33) LIPECARM1PRMT6
SCHEMBL8885946 0.94 LIPE (0.33) LIPECARM1PRMT6
SCHEMBL7778884 0.87 DRD2 (0.38) SPHK2SPHK1
SCHEMBL7778881 0.87 DRD2 (0.38) SPHK2SPHK1
SCHEMBL7778781 0.86 MAOB (0.36) SPHK2SPHK1
SCHEMBL7774632 0.86 MAOB (0.36) SPHK2SPHK1
SCHEMBL7774585 0.85 HTR2A (0.31)
SCHEMBL7774581 0.85 HTR2A (0.31)
SCHEMBL7781563 0.84 DRD2 (0.37) SPHK2SPHK1ENPP2

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
EP-0732330-B1 Di-1,3-dioxane derivatives useful as liquid crystals ROLIC AG (CH) 2001-09-12 EP disclosed
EP-0732330-A1 Di-1,3-dioxane derivatives useful as liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1996-09-18 EP disclosed