SCHEMBL6661155

SCHEMBL6661155

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
KDM1A O60341 12/20 0.32
ENPP2 Q13822 1/20 0.32
AR P10275 1/20 0.31
SPHK1 Q9NYA1 2/20 0.31
DAO P14920 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
SCHEMBL6664031 0.94 AOC3 (0.34) AOC3KDM1AENPP2ARDAO
SCHEMBL6667092 0.90 SPHK1 (0.35) AOC3KDM1ASPHK1
SCHEMBL6663816 0.89 KDM1A (0.33) AOC3KDM1AARDAO
SCHEMBL6664119 0.89 SPHK1 (0.30) SPHK1
SCHEMBL6661271 0.89 TSHR (0.36) SPHK1
SCHEMBL6666310 0.89 SPHK1 (0.34) SPHK1
SCHEMBL6665405 0.88 SPHK1 (0.41) SPHK1
SCHEMBL6666356 0.87 SPHK1 (0.43) SPHK1
SCHEMBL6667708 0.87 SPHK1 (0.38) SPHK1
SCHEMBL6666365 0.86 SPHK1 (0.33) SPHK1

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