SCHEMBL7028362

SCHEMBL7028362

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
RORC P51449 3/20 0.32
CTSC P53634 4/20 0.31
TLR7 Q9NYK1 6/20 0.31
CTSK P43235 2/20 0.31
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
SCHEMBL8390301 1.00 KDM5A (0.35) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL7030982 0.91 KDM5A (0.34) KDM5AKDM4CKDM5BRORCTLR7
SCHEMBL7028645 0.88 KDM5A (0.34) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8387914 0.88 KDM5A (0.34) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8389634 0.88 KDM5A (0.34) KDM5AKDM4CKDM5B
SCHEMBL7032104 0.88 KDM5A (0.34) KDM5AKDM4CKDM5B
SCHEMBL8385781 0.86 KDM5A (0.37) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8390577 0.86 KDM5A (0.35) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL7027448 0.86 KDM5A (0.37) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8387916 0.86 KDM5A (0.37) KDM5AKDM4CKDM5BRORCCTSC

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