SCHEMBL9285759

SCHEMBL9285759

C=CCC1COC(C2CCC(c3ccc(C#N)c(F)c3)CC2)OC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
KDM1A O60341 4/20 0.32
EGLN2 Q96KS0 3/20 0.31
FASN P49327 2/20 0.31
CHEK1 O14757 2/20 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
SCHEMBL9285753 1.00 CYP11B1 (0.33) CYP11B1CYP11B2KDM1AEGLN2FASN
SCHEMBL9285746 1.00 CYP11B1 (0.33) CYP11B1CYP11B2KDM1AEGLN2FASN
SCHEMBL8436430 0.89 CYP11B1 (0.32) CYP11B1CYP11B2KDM1AEGLN2FASN
SCHEMBL8436435 0.89 CYP11B1 (0.32) CYP11B1CYP11B2KDM1AEGLN2FASN
SCHEMBL8436424 0.89 CYP11B1 (0.32) CYP11B1CYP11B2KDM1AEGLN2FASN
SCHEMBL8436427 0.89 CYP11B1 (0.32) CYP11B1CYP11B2KDM1AEGLN2FASN
SCHEMBL8433759 0.88 CYP11B1 (0.34) CYP11B1CYP11B2KDM1AFASNCHEK1
SCHEMBL8433763 0.88 CYP11B1 (0.34) CYP11B1CYP11B2KDM1AFASNCHEK1
SCHEMBL8433761 0.88 CYP11B1 (0.34) CYP11B1CYP11B2KDM1AFASNCHEK1
SCHEMBL8433760 0.88 CYP11B1 (0.34) CYP11B1CYP11B2KDM1AFASNCHEK1

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-0452274-B1 Phenylcyclohexyldioxane derivatives having an ether bond for electro-optical displays DAINIPPON INK & CHEMICALS (JP) 1995-06-28 EP disclosed