SCHEMBL6661317

SCHEMBL6661317

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.35
KDM1A O60341 15/20 0.33
RORC P51449 1/20 0.31
DAO P14920 1/20 0.31
CACNA1H O95180 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
SCHEMBL6667723 0.89
SCHEMBL6661294 0.89 AOC3 (0.34) AOC3KDM1ARORCDAO
SCHEMBL6661202 0.88 ALDH1A1 (0.37) AOC3KDM1ARORCDAO
SCHEMBL6667523 0.86 KDM1A (0.34) AOC3KDM1ARORCDAOCACNA1H
SCHEMBL6661263 0.86 DAO (0.31) KDM1ADAO
SCHEMBL6666646 0.86 HSD11B1 (0.36) AOC3
SCHEMBL6666595 0.86 ALDH1A1 (0.33)
SCHEMBL6667092 0.85 SPHK1 (0.35) AOC3KDM1ARORC
SCHEMBL6666418 0.85 P2RX7 (0.32) CACNA1H
SCHEMBL8470846 0.84 TRPC3 (0.34) AOC3

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