SCHEMBL9406766

SCHEMBL9406766

CCCC1CCC(C2COC(c3cc(F)c(Br)c(F)c3)OC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
TLR4 O00206 1/20 0.32
CYP2C9 P11712 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
SCHEMBL18960018 0.90 TLR4 (0.32) TLR4CYP2C9
SCHEMBL7857866 0.90 TLR4 (0.32) TLR4CYP2C9
SCHEMBL20173257 0.89 TLR4 (0.32) TLR4CYP2C9
SCHEMBL17875296 0.88 TLR4 (0.31) TLR4
SCHEMBL19545947 0.88 FYN (0.33) TLR4CYP2C9
SCHEMBL9556374 0.86 KDM1A (0.40) KDM1AKDM1BTLR4CYP2C9
SCHEMBL9556367 0.86 KDM1A (0.40) KDM1AKDM1BTLR4CYP2C9
SCHEMBL7851201 0.86 KDM1A (0.39) KDM1AKDM1B
SCHEMBL7851198 0.86 KDM1A (0.39) KDM1AKDM1B
SCHEMBL9556400 0.85 CYP2C9 (0.35) TLR4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354502-A Very large dielectric anisotropy and small birefringence SEIKO EPSON CORPORATION (JP) 1994-10-11 US disclosed
EP-0447565-A1 1,3-DIOXANE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME SEIKO EPSON CORPORATION (JP) 1991-09-25 EP disclosed