SCHEMBL9556367

SCHEMBL9556367

CCCC1CCC([C@H]2CO[C@H](c3ccc(Br)c(F)c3)OC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
RCOR1 Q9UKL0 1/20 0.40
KCNH2 Q12809 2/20 0.38
KDM1B Q8NB78 1/20 0.38
CYP2C9 P11712 1/20 0.33
TLR4 O00206 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9556374 1.00 KDM1A (0.40) KDM1ARCOR1KCNH2KDM1BCYP2C9
SCHEMBL10432820 0.90 CYP2C9 (0.35) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL9556219 0.90 CYP2C9 (0.35) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL9556400 0.90 CYP2C9 (0.35) CYP2C9TLR4ALDH1A1LMNAMAPT
SCHEMBL17799313 0.87 KDM1A (0.45) KDM1ARCOR1KCNH2KDM1B
SCHEMBL31571443 0.87 KDM1A (0.45) KDM1ARCOR1KCNH2KDM1B
SCHEMBL9406766 0.86 KDM1A (0.33) KDM1AKDM1BCYP2C9TLR4
SCHEMBL7857866 0.84 TLR4 (0.32) CYP2C9TLR4
SCHEMBL18960018 0.84 TLR4 (0.32) CYP2C9TLR4
SCHEMBL9555964 0.84 KDM1A (0.39) KDM1ARCOR1KCNH2KDM1BCYP2C9

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-5238599-A Low threshold voltage, low driving voltage SEIKO EPSON CORPORATION (JP) 1993-08-24 US disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed