SCHEMBL7028647

SCHEMBL7028647

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.32
CTSK P43235 2/20 0.32
CTSC P53634 2/20 0.32
RORC P51449 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DGKZ Q13574 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
USP25 Q9UHP3 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
SCHEMBL7026539 0.93 CA2 (0.36) PANK3CTSKCTSCHRH3
SCHEMBL7033122 0.91 PANK3 (0.31) PANK3CTSKCTSCRORCHRH3
SCHEMBL7028366 0.88 PANK3 (0.33) PANK3CTSKCTSCRORCKDM5A
SCHEMBL7025815 0.84 CA2 (0.34) PANK3CTSKCTSC
SCHEMBL7034366 0.84
SCHEMBL7031709 0.84 ESR2 (0.36) PANK3CTSKCTSCRORCHRH3
SCHEMBL9480907 0.84 USP5 (0.34)
SCHEMBL14316105 0.84 USP5 (0.34)
SCHEMBL8771249 0.84 USP5 (0.34)
SCHEMBL9480887 0.84 USP5 (0.34)

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