SCHEMBL6665032

SCHEMBL6665032

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP2C9 P11712 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
EPHX2 P34913 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6666568 0.99 PDE2A (0.33) PDE2AALDH1A1LMNAMAPTKDM1A
SCHEMBL6663970 0.99 PDE2A (0.33) PDE2AALDH1A1LMNAMAPTKDM1A
SCHEMBL6664067 0.99 PDE2A (0.33) PDE2AALDH1A1LMNAMAPTKDM1A
SCHEMBL6661289 0.99 PDE2A (0.33) PDE2AALDH1A1LMNAMAPTKDM1A
SCHEMBL6668743 0.99 PDE2A (0.33) PDE2AALDH1A1LMNAMAPTKDM1A
SCHEMBL6665370 0.97 PDE2A (0.34) PDE2AALDH1A1LMNAMAPTKDM1A
SCHEMBL6662713 0.93 ALDH1A1 (0.40) PDE2AALDH1A1LMNAMAPTKDM1A
SCHEMBL6660738 0.93 MAPT (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6661882 0.91 MAPT (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667373 0.91 MAPT (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1

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