SCHEMBL8730367

SCHEMBL8730367

C=CCOCc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=C)CC3)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
PANK3 Q9H999 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
SCHEMBL8730360 1.00 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8730352 1.00 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL7033040 0.89 KDM5A (0.34) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8387253 0.89 KDM5A (0.34) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL7030366 0.87 KDM5A (0.35) KDM5AKDM4CKDM5B
SCHEMBL8389614 0.87 KDM5A (0.35) KDM5AKDM4CKDM5B
SCHEMBL7033562 0.87 GBA1 (0.34) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8731256 0.86 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8390577 0.86 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL7027203 0.86 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed