SCHEMBL7027451

SCHEMBL7027451

O=CC1CCC(C2CCC(c3ccc(CCO)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.38
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
RORC P51449 3/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CA2 P00918 1/20 0.32
CTSC P53634 3/20 0.32
CTSK P43235 2/20 0.32
USP25 Q9UHP3 1/20 0.32
KLKB1 P03952 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
DGKZ Q13574 1/20 0.30
USP5 P45974 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
POLQ O75417 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
SCHEMBL7027206 0.87 PANK3 (0.34) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL7028366 0.85 PANK3 (0.33) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL18097790 0.85 PANK3 (0.40) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL27748832 0.84 PANK3 (0.35) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL7028647 0.83 PANK3 (0.32) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL7033122 0.81 PANK3 (0.31) PANK3RORCCTSCCTSKHRH3
SCHEMBL8385781 0.81 KDM5A (0.37) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL7027448 0.81 KDM5A (0.37) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL8387916 0.81 KDM5A (0.37) PANK3KDM5AKDM4CKDM5BRORC
SCHEMBL2272516 0.81 USP5 (0.37) HTR2AHTR2CUSP5HDAC6

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