SCHEMBL6661890

SCHEMBL6661890

CCCCCc1ccc(C(C)OC(F)(F)c2ccc(C3CCC(CCC)CC3)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
SPHK2 Q9NRA0 7/20 0.36
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6666358 0.96 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6663079 0.93 CYP2C9 (0.34) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6667711 0.93 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL6666216 0.91 CYP2C9 (0.37) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6667632 0.91 CYP2C9 (0.37) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6665047 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6665410 0.89 CYP2C9 (0.33) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6667745 0.89 SPHK1 (0.36) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6663758 0.87 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6665145 0.87 CYP2C9 (0.38) 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