SCHEMBL13636664

SCHEMBL13636664

CCCC1CCC(c2ccc(CCCCc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
SPHK1 Q9NYA1 12/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SPHK2 Q9NRA0 7/20 0.32
RORC P51449 1/20 0.32
POLQ O75417 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
SCHEMBL8747872 0.93 CYP2C9 (0.39) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL8748020 0.89 SPHK1 (0.34) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL8748217 0.88 SPHK1 (0.36) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL8747894 0.87 SPHK1 (0.38) CYP2C9SPHK1MAPTSPHK2
SCHEMBL8748190 0.87 SPHK1 (0.38) CYP2C9SPHK1MAPTSPHK2
SCHEMBL12977470 0.84 CYP2C9 (0.34) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL8034379 0.82 SLC6A2 (0.32) RORCPOLQ
SCHEMBL8049058 0.81 DAO (0.30) RORC
SCHEMBL13002419 0.81 CYP2C9 (0.42) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL13002433 0.81 CYP2C9 (0.42) CYP2C9SPHK1ALDH1A1LMNAMAPT

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-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP disclosed