SCHEMBL6665743

SCHEMBL6665743

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
KDM1A O60341 15/20 0.33
DAO P14920 1/20 0.33
AOC3 Q16853 1/20 0.33
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL6661294 0.90 AOC3 (0.34) RORCKDM1ADAOAOC3
SCHEMBL6667523 0.89 KDM1A (0.34) RORCKDM1ADAOAOC3
SCHEMBL6662859 0.88
SCHEMBL6661657 0.86 KDM1A (0.34) KDM1ADAOKCNH2
SCHEMBL6662551 0.85 HSD11B1 (0.37) KCNJ1KCNH2
SCHEMBL6661202 0.84 ALDH1A1 (0.37) RORCKDM1ADAOAOC3
SCHEMBL6666723 0.84 HTR2C (0.34)
SCHEMBL6661199 0.83 FFAR4 (0.33) DAO
SCHEMBL6668679 0.83 P2RX7 (0.34) KCNH2
SCHEMBL6661317 0.82 AOC3 (0.35) RORCKDM1ADAOAOC3

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