SCHEMBL7028645

SCHEMBL7028645

CC/C=C/[C@H]1CC[C@H](C2CCC(c3ccc(COC)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CTSC P53634 3/20 0.32
CTSK P43235 2/20 0.32
TLR7 Q9NYK1 5/20 0.31
RORC P51449 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
SCHEMBL8387914 1.00 KDM5A (0.34) KDM5AKDM4CKDM5BCTSCCTSK
SCHEMBL7033118 0.91 KDM5A (0.33) KDM5AKDM4CKDM5BCTSCCTSK
SCHEMBL8390265 0.91 KDM5A (0.33) KDM5AKDM4CKDM5BCTSCCTSK
SCHEMBL8388235 0.90 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL7026537 0.90 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL7028362 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BCTSCCTSK
SCHEMBL8390301 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BCTSCCTSK
SCHEMBL8385781 0.84 KDM5A (0.37) KDM5AKDM4CKDM5BCTSCCTSK
SCHEMBL8390577 0.84 KDM5A (0.35) KDM5AKDM4CKDM5BCTSCCTSK
SCHEMBL8387042 0.84

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
EP-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed