SCHEMBL10014152

SCHEMBL10014152

CC1CCC(C2COC(c3ccc(F)c(F)c3)OC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GRIA4 P48058 1/20 0.32
KDM1A O60341 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
MAOB P27338 1/20 0.31
ESR2 Q92731 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10432573 1.00 HTR2A (0.33) HTR2AHTR2CHTR2BGRIA4KDM1A
SCHEMBL12917849 0.86 ESR2 (0.34) ESR2
SCHEMBL2741533 0.84
SCHEMBL10432495 0.84 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL10432496 0.84 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL10432494 0.84 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL9785330 0.84 HTR2A (0.38) HTR2AHTR2CHTR2BGRIA4KDM1A
SCHEMBL18176037 0.84 HTR2A (0.38) HTR2AHTR2CHTR2BGRIA4KDM1A
SCHEMBL10502319 0.84 CYP11B1 (0.45) KDM1A
SCHEMBL9556571 0.84 CYP11B1 (0.45) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP claimed
US-9238775-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
US-20130208227-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012052100-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed