SCHEMBL6663214

SCHEMBL6663214

CCC[C@H]1CC[C@H](c2cc(F)c(C(F)(F)OCCc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL6663963 0.93
SCHEMBL6663949 0.88 CYP2C9 (0.33) CYP2C9
SCHEMBL6666943 0.88 ALDH1A1 (0.38) CYP2C9
SCHEMBL6667690 0.87 KDM1A (0.34) CYP2C9
SCHEMBL6661333 0.87 CYP2C9 (0.33) CYP2C9
SCHEMBL6667884 0.87 MAOA (0.34) CYP2C9
SCHEMBL6661865 0.84 CYP2C9 (0.31) CYP2C9
SCHEMBL6663200 0.84 CYP2C9 (0.34) CYP2C9
SCHEMBL7722615 0.83 CYP2C9 (0.33) CYP2C9
SCHEMBL7722620 0.83 CYP2C9 (0.33) CYP2C9

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