SCHEMBL6661294

SCHEMBL6661294

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
RORC P51449 2/20 0.32
KDM1A O60341 15/20 0.32
DAO P14920 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
SCHEMBL6665743 0.90 RORC (0.33) AOC3RORCKDM1ADAO
SCHEMBL6661317 0.89 AOC3 (0.35) AOC3RORCKDM1ADAO
SCHEMBL6664144 0.89
SCHEMBL6661202 0.88 ALDH1A1 (0.37) AOC3RORCKDM1ADAO
SCHEMBL6666987 0.86 DAO (0.32) KDM1ADAO
SCHEMBL6666328 0.85 HSD11B1 (0.35)
SCHEMBL6667092 0.85 SPHK1 (0.35) AOC3RORCKDM1A
SCHEMBL6665865 0.85 ESR2 (0.34)
SCHEMBL6664195 0.84 FFAR4 (0.32)
SCHEMBL6662134 0.84 P2RX7 (0.33)

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