SCHEMBL6663332

SCHEMBL6663332

CCCC1CCC(c2ccc(CC(F)(F)OCc3ccc(C4CCC(CC)CC4)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 8/20 0.39
SPHK1 Q9NYA1 6/20 0.35
ESR1 P03372 6/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.32
SPHK2 Q9NRA0 2/20 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
SCHEMBL6666932 1.00 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667647 0.96 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6666697 0.95 ESR2 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6660749 0.91 SPHK1 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667716 0.91 SPHK1 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6664016 0.91 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6662873 0.91 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6665229 0.91 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667375 0.90 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6661887 0.90 CYP2C9 (0.44) 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