SCHEMBL6667690

SCHEMBL6667690

CCC[C@H]1CC[C@H](c2cc(F)c(C(F)(F)OCCc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.34
DAO P14920 1/20 0.32
AOC3 Q16853 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6663816 0.94 KDM1A (0.33) KDM1ADAOAOC3
SCHEMBL6661202 0.89 ALDH1A1 (0.37) KDM1ADAOAOC3CYP2C9
SCHEMBL6664031 0.89 AOC3 (0.34) KDM1ADAOAOC3CYP2C9
SCHEMBL6667884 0.88 MAOA (0.34) KDM1ACYP2C9
SCHEMBL6663200 0.88 CYP2C9 (0.34) CYP2C9
SCHEMBL6663214 0.87 CYP2C9 (0.31) CYP2C9
SCHEMBL6663949 0.84 CYP2C9 (0.33) CYP2C9
SCHEMBL6664179 0.83 HCRTR1 (0.34) CYP2C9
SCHEMBL6667092 0.83 SPHK1 (0.35) KDM1AAOC3
SCHEMBL6661155 0.83 AOC3 (0.33) KDM1ADAOAOC3

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