SCHEMBL6663902

SCHEMBL6663902

CCCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
PDE2A O00408 7/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
GPR139 Q6DWJ6 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
SCHEMBL6663768 0.93 PDE2A (0.32) PDE2AKDM1ARCOR1PTGS2PPARG
SCHEMBL6665047 0.92 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTKDM1A
SCHEMBL6665145 0.89 CYP2C9 (0.38) CYP2C9PDE2AALDH1A1LMNAMAPT
SCHEMBL6663758 0.89 CYP2C9 (0.38) CYP2C9PDE2AALDH1A1LMNAMAPT
SCHEMBL6666417 0.89 PDE2A (0.37) CYP2C9PDE2A
SCHEMBL6661154 0.88 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6666381 0.88 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6665361 0.88 PDE2A (0.34) CYP2C9PDE2AALDH1A1LMNAMAPT
SCHEMBL6663831 0.88 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7722591 0.88 CYP2C9 (0.39) CYP2C9PDE2AALDH1A1LMNAMAPT

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