SCHEMBL7028366

SCHEMBL7028366

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.33
RORC P51449 2/20 0.32
CTSC P53634 3/20 0.31
CTSK P43235 2/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
USP25 Q9UHP3 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
SCHEMBL7030986 0.91 ESR2 (0.38) PANK3RORCKDM5AKDM4CKDM5B
SCHEMBL7028647 0.88 PANK3 (0.32) PANK3RORCCTSCCTSKKDM5A
SCHEMBL7032106 0.87 CTSK (0.30) PANK3CTSCCTSKKDM5AKDM4C
SCHEMBL7033122 0.86 PANK3 (0.31) PANK3RORCCTSCCTSK
SCHEMBL7027206 0.85 PANK3 (0.34) PANK3RORCCTSCCTSKKDM5A
SCHEMBL7027451 0.85 PANK3 (0.38) PANK3RORCCTSCCTSKKDM5A
SCHEMBL7020392 0.84
SCHEMBL8390301 0.83 KDM5A (0.35) PANK3RORCCTSCCTSKKDM5A
SCHEMBL7028362 0.83 KDM5A (0.35) PANK3RORCCTSCCTSKKDM5A
SCHEMBL18097790 0.83 PANK3 (0.40) PANK3RORCKDM5AKDM4CKDM5B

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