SCHEMBL7033043

SCHEMBL7033043

C=CC1CCC(C2CCC(c3ccc(CCCO)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
PANK3 Q9H999 2/20 0.33
FFAR4 Q5NUL3 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL7027206 0.93 PANK3 (0.34) PANK3FFAR4KDM5AKDM4CKDM5B
SCHEMBL7028335 0.87 CA2 (0.38) CA2FFAR4
SCHEMBL12975806 0.84 SPHK1 (0.32) PANK3
SCHEMBL7026539 0.84 CA2 (0.36) CA2PANK3
SCHEMBL7026332 0.84
SCHEMBL7029316 0.83 ESR2 (0.40) PANK3KDM5AKDM4CKDM5B
SCHEMBL19446496 0.82 PANK3 (0.34) PANK3KDM5AKDM4CKDM5B
SCHEMBL7025815 0.82 CA2 (0.34) CA2PANK3
SCHEMBL7028218 0.81 CA2 (0.39) CA2PANK3FFAR4KDM5AKDM4C
SCHEMBL12975818 0.81 CTSC (0.34) PANK3KDM5AKDM4CKDM5B

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