SCHEMBL6661210

SCHEMBL6661210

CCCC1CCC(c2ccc(COC(F)(F)Cc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
AOC3 Q16853 1/20 0.35
RORC P51449 1/20 0.35
KDM1A O60341 6/20 0.34
AR P10275 1/20 0.32
ESR2 Q92731 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
ENPP2 Q13822 1/20 0.32
CACNA1H O95180 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PTGES O14684 1/20 0.31
TBXAS1 P24557 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL6667105 0.93 SPHK1 (0.34) CYP2C9AOC3RORCKDM1AENPP2
SCHEMBL6666946 0.90 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6661331 0.88 AOC3 (0.34) AOC3RORCKDM1ACACNA1HFFAR4
SCHEMBL6661306 0.88 AOC3 (0.33) AOC3RORCKDM1AARESR2
SCHEMBL6662944 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6666436 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6666666 0.86 MEN1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667647 0.85 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667528 0.85 RORC (0.33) RORCKDM1ATRPV4ENPP2CACNA1H
SCHEMBL10645707 0.85 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1

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