SCHEMBL6663294

SCHEMBL6663294

CC=CC1CCC(CC(F)(F)OCc2ccc(C#N)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
DRD4 P21917 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAOB P27338 4/20 0.32
TRPA1 O75762 1/20 0.32
MAOA P21397 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TACR1 P25103 1/20 0.30
MRGPRX1 Q96LB2 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
SCHEMBL6663290 1.00 GAA (0.32) GAASIGMAR1DRD4TMEM97CYP2A6
SCHEMBL6663298 1.00 GAA (0.32) GAASIGMAR1DRD4TMEM97CYP2A6
SCHEMBL6665337 0.86 GAA (0.33) GAASIGMAR1DRD4TMEM97CYP2A6
SCHEMBL6665331 0.86 GAA (0.33) GAASIGMAR1DRD4TMEM97CYP2A6
SCHEMBL6660770 0.85
SCHEMBL6662733 0.85 AGXT (0.32)
SCHEMBL6660779 0.85
SCHEMBL6662727 0.85 AGXT (0.32)
SCHEMBL6662736 0.85 AGXT (0.32)
SCHEMBL6660776 0.85

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed