SCHEMBL7027448

SCHEMBL7027448

COCc1ccc(C2CCC([C@H]3CC[C@H](C=O)CC3)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
RORC P51449 4/20 0.34
CTSC P53634 4/20 0.33
CTSK P43235 2/20 0.33
PANK3 Q9H999 2/20 0.33
TLR7 Q9NYK1 5/20 0.32
GPR119 Q8TDV5 2/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
HCRTR2 O43614 1/20 0.32
IDO1 P14902 1/20 0.31
AGXT P21549 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
SCHEMBL8385781 1.00 KDM5A (0.37) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8387916 1.00 KDM5A (0.37) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8731256 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8390577 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL7027203 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL7028362 0.86 KDM5A (0.35) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL8390301 0.86 KDM5A (0.35) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL26179840 0.85 KDM5A (0.42) KDM5AKDM4CKDM5BRORCPANK3
SCHEMBL8387914 0.84 KDM5A (0.34) KDM5AKDM4CKDM5BRORCCTSC
SCHEMBL7028645 0.84 KDM5A (0.34) 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