SCHEMBL6661960

SCHEMBL6661960

CCCCCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CETP P11597 2/20 0.33
CYP2C9 P11712 1/20 0.32
GRM2 Q14416 1/20 0.32
ACACB O00763 1/20 0.31
USP30 Q70CQ3 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
CYP19A1 P11511 2/20 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
SCHEMBL6666660 0.93 ALDH1A1 (0.40) HSD11B1GRIA1GRIA2GRIA3ALDH1A1
SCHEMBL6660738 0.92 MAPT (0.38) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6667373 0.90 MAPT (0.42) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6661882 0.90 MAPT (0.42) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6660745 0.89 MAPT (0.36) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6667714 0.89 MAPT (0.36) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6662839 0.88 MAPT (0.36) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6664252 0.88 MAPT (0.36) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6666560 0.87 MAPT (0.35) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL6661279 0.86 KIF11 (0.32) GRIA1GRIA2GRIA3CYP19A1

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