SCHEMBL4644733

SCHEMBL4644733

Fc1cc(F)c2c(c1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LOX P28300 1/20 0.33
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
NLRP3 Q96P20 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
Ethane SCHEMBL27539333 0.96 NLRP3 (0.33) MAOAMAOBLOXGRIN2DGRIN3B
SCHEMBL29362523 0.95 MAOA (0.33) MAOAMAOBLOXMEN1KMT2A
SCHEMBL7792883 0.95 MAOA (0.33) MAOAMAOBLOXMEN1KMT2A
SCHEMBL8436954 0.82 BCL2L1 (0.42) NPC1RAB9ANLRP3MEN1KMT2A
SCHEMBL806281 0.79 MAPT (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30899242 0.77 HTR2C (0.48)
SCHEMBL28908910 0.77 MAOA (0.37) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL19679234 0.77 BCL2L1 (0.47) NPC1RAB9AMEN1KMT2A
SCHEMBL12490226 0.77 MAPT (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2264771 0.77 AR (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568754-B1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK & CHEMICALS (JP) 2008-08-13 EP disclosed
EP-1568754-B1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK & CHEMICALS (JP) 2008-08-13 EP disclosed
US-7232592-B2 Compounds having a 4,6-difluoroindan-2,5-diyl group; composition of up to 6 compounds gives good response speed, good electrooptical liquid crystal display, matrix liquid crystal display elements DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-19 US disclosed
US-20060102878-A1 Nematic liquid crystal composition containing indan compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-05-18 US disclosed
EP-1568754-A4 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-02-08 EP disclosed
CN-1717467-A Indane compound-containing nematic liquid crystal composition DAINIPPON INK & CHEMICALS (JP) 2006-01-04 CN disclosed
EP-1568754-A1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-08-31 EP disclosed
WO-2004050797-A1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-17 WO disclosed