SCHEMBL11942722

SCHEMBL11942722

CCCC(O)c1ccc(C2CCC(c3ccc(COc4ccc(C)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM1A O60341 2/20 0.31
HTR6 P50406 1/20 0.31
TPH1 P17752 2/20 0.31
KCNH2 Q12809 1/20 0.30
SCN3A Q9NY46 1/20 0.30
RXRG P48443 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL11933464 0.88 KDM1A (0.39) KDM5AKDM4CKDM5BKDM1AHTR6
SCHEMBL11939155 0.84 KDM1A (0.35) KDM1A
SCHEMBL11939381 0.84 KDM1A (0.37) KDM5AKDM4CKDM5BKDM1AHTR6
SCHEMBL11933465 0.84 SCN9A (0.35) KDM5AKDM4CKDM5BKDM1AHTR6
SCHEMBL10303367 0.84 KDM1A (0.39) KDM1ATPH1
SCHEMBL15381806 0.83 KDM1A (0.43) KDM5AKDM4CKDM5BKDM1AHTR6
SCHEMBL11933466 0.83 KDM5A (0.35) KDM5AKDM4CKDM5BKDM1AHTR6
SCHEMBL10091407 0.82 KDM1A (0.41) KDM1ATPH1
SCHEMBL11943670 0.82 TPH1 (0.33) KDM5AKDM4CKDM5BKDM1ATPH1
SCHEMBL12223950 0.81 PDE4A (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-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 EP disclosed