SCHEMBL6666044

SCHEMBL6666044

C/C=C/[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
KDM1A O60341 1/20 0.32
KCNH2 Q12809 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL6661657 0.89 KDM1A (0.34) DAOKDM1AKCNH2KIF11
SCHEMBL6662010 0.88 FFAR4 (0.32)
SCHEMBL6665069 0.87 SPHK1 (0.34)
SCHEMBL6663477 0.87 SPHK1 (0.30)
SCHEMBL6662858 0.86 P2RX7 (0.33) KCNH2
SCHEMBL6664362 0.86 HTR2C (0.39)
SCHEMBL6667523 0.85 KDM1A (0.34) DAOKDM1A
SCHEMBL6661263 0.85 DAO (0.31) DAOKDM1A
SCHEMBL6665381 0.84
SCHEMBL6663932 0.84 SPHK1 (0.31)

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