SCHEMBL8387231

SCHEMBL8387231

CCCC[C@H]1CO[C@H]([C@H]2CC[C@H](c3ccc(COC)c(F)c3)CC2)OC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CTSK P43235 1/20 0.30
CTSC P53634 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
SCHEMBL7026494 1.00 KDM5A (0.34) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL8387917 0.97 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL7023942 0.97 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL7029800 0.94 KDM5A (0.35) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL8389631 0.94 KDM5A (0.35) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL7033648 0.92 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL8388203 0.92 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL8387265 0.89 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL7024037 0.89 KDM5A (0.33) KDM5AKDM4CKDM5B
SCHEMBL8387101 0.88 CYP2C9 (0.34) KDM5AKDM4CKDM5BCTSKCTSC

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
US-5888423-A Fluorobenzyl ether derivatives ROLIC AG (CH) 1999-03-30 US disclosed