SCHEMBL7027965

SCHEMBL7027965

COC=C1CCC(C2CCC(c3ccc(CCO)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.32
PANK3 Q9H999 2/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ESR2 Q92731 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
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
SCHEMBL7108303 0.91 KDM5A (0.32) RORCPANK3KDM5AKDM4CKDM5B
SCHEMBL7108299 0.91 KDM5A (0.32) RORCPANK3KDM5AKDM4CKDM5B
SCHEMBL7027963 0.86 KDM5A (0.34) RORCPANK3KDM5AKDM4CKDM5B
SCHEMBL18097790 0.80 PANK3 (0.40) RORCPANK3KDM5AKDM4CKDM5B
SCHEMBL7031709 0.78 ESR2 (0.36) RORCPANK3KDM5AKDM4CKDM5B
SCHEMBL7028366 0.78 PANK3 (0.33) RORCPANK3KDM5AKDM4CKDM5B
SCHEMBL12228201 0.78
SCHEMBL15420175 0.78
SCHEMBL7027451 0.77 PANK3 (0.38) RORCPANK3KDM5AKDM4CKDM5B
SCHEMBL7027206 0.77 PANK3 (0.34) RORCPANK3KDM5AKDM4CKDM5B

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