SCHEMBL6661657

SCHEMBL6661657

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
DAO P14920 1/20 0.34
KIF11 P52732 1/20 0.32
HTR2C P28335 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6666987 0.90 DAO (0.32) KDM1ADAO
SCHEMBL6661199 0.89 FFAR4 (0.33) DAOHTR2CFFAR4
SCHEMBL6666044 0.89 DAO (0.32) KDM1ADAOKIF11KCNH2
SCHEMBL6666723 0.88 HTR2C (0.34) HTR2CFFAR4
SCHEMBL6668679 0.87 P2RX7 (0.34) KCNH2
SCHEMBL6667749 0.87 HTR2C (0.40) HTR2C
SCHEMBL6665743 0.86 RORC (0.33) KDM1ADAOKCNH2
SCHEMBL6662859 0.83
SCHEMBL6663918 0.83 HTR2C (0.31) HTR2C
SCHEMBL6665351 0.82 ESR2 (0.31) KDM1A

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