SCHEMBL6663818

SCHEMBL6663818

CCCCCC1CCC(c2cc(F)c(C(F)(F)OC(C)c3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM1A O60341 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
SCHEMBL6667692 0.94 CYP11B1 (0.32) CYP11B1CYP11B2KDM1A
SCHEMBL6661161 0.89 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL6667099 0.89 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL6666642 0.89 GRM2 (0.31)
SCHEMBL6664025 0.89 JAK2 (0.33)
SCHEMBL6663967 0.88
SCHEMBL6665636 0.85 MEN1 (0.32)
SCHEMBL6663478 0.84 PDE2A (0.37)
SCHEMBL6664039 0.83 CYP2C9 (0.32) CYP11B1CYP11B2
SCHEMBL6664208 0.82 PDE2A (0.33) 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