SCHEMBL8885946

SCHEMBL8885946

CCCC1COC(C2COC(CCc3ccc(OCC(F)(F)F)cc3)OC2)OC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 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
SCHEMBL8885940 1.00 LIPE (0.33) LIPECARM1PRMT6HCRTR1HCRTR2
SCHEMBL7781499 0.94 LIPE (0.33) LIPECARM1PRMT6
SCHEMBL7781496 0.94 LIPE (0.33) LIPECARM1PRMT6
SCHEMBL7782311 0.87 DRD4 (0.39) HCRTR1HCRTR2
SCHEMBL7782314 0.87 DRD4 (0.39) HCRTR1HCRTR2
SCHEMBL7781612 0.85 MAOB (0.38)
SCHEMBL7781614 0.85 MAOB (0.38)
SCHEMBL7781439 0.82 DAO (0.34)
SCHEMBL7781446 0.82 DAO (0.34)
SCHEMBL7778824 0.81 MAOB (0.33)

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-5667721-A Liquid crystalline di-1,3-dioxane derivatives ROLIC AG (CH) 1997-09-16 US disclosed