SCHEMBL6663435

SCHEMBL6663435

CCCc1ccc(CC(F)(F)OCc2ccc(C3CCC(CCC)CC3)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
SPHK1 Q9NYA1 3/20 0.33

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
SCHEMBL6662905 0.94 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667612 0.93 SPHK1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6662827 0.93 SPHK1 (0.38) CYP2C9ALDH1A1LMNAMAPTFFAR4
SCHEMBL6662934 0.89 SPHK1 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6662944 0.89 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6664083 0.89 SPHK1 (0.40) CYP2C9FFAR4SPHK1
SCHEMBL6666436 0.88 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6662873 0.87 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667647 0.87 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6663052 0.87 SPHK1 (0.37) CYP2C9SPHK1

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