SCHEMBL7030366

SCHEMBL7030366

C=CCOCc1ccc(C2CCC([C@H]3CC[C@H](CC)CC3)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL8389614 1.00 KDM5A (0.35) KDM5AKDM4CKDM5BHRH3
SCHEMBL8389581 0.89 KDM5A (0.32) KDM5AKDM4CKDM5B
SCHEMBL7032811 0.89 KDM5A (0.32) KDM5AKDM4CKDM5B
SCHEMBL7032295 0.88 KDM5A (0.31) KDM5AKDM4CKDM5BHRH3
SCHEMBL8389685 0.88 KDM5A (0.31) KDM5AKDM4CKDM5BHRH3
SCHEMBL8730360 0.87 KDM5A (0.35) KDM5AKDM4CKDM5B
SCHEMBL8730352 0.87 KDM5A (0.35) KDM5AKDM4CKDM5B
SCHEMBL8730367 0.87 KDM5A (0.35) KDM5AKDM4CKDM5B
SCHEMBL7028213 0.87 KDM5A (0.38) KDM5AKDM4CKDM5BHRH3
SCHEMBL8390749 0.87 KDM5A (0.38) KDM5AKDM4CKDM5BHRH3

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