SCHEMBL8963018

SCHEMBL8963018

Fc1cc(C2CCC(/C=C/Cl)CC2)ccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.36
PDE2A O00408 8/20 0.35
S1PR1 P21453 1/20 0.32
KDM1A O60341 2/20 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
SCHEMBL8963026 1.00 EPHX2 (0.36) EPHX2PDE2AS1PR1KDM1A
SCHEMBL8962943 0.96 EPHX2 (0.34) EPHX2PDE2AS1PR1
SCHEMBL9543549 0.93 KDM1A (0.39) EPHX2PDE2AKDM1A
SCHEMBL8963179 0.90 CTSK (0.37) EPHX2PDE2AS1PR1
SCHEMBL8963176 0.90 CTSK (0.37) EPHX2PDE2AS1PR1
SCHEMBL12997536 0.86 EPHX2 (0.45) EPHX2PDE2AKDM1A
SCHEMBL8835054 0.85 EPHX2 (0.37) EPHX2PDE2A
SCHEMBL8835064 0.85 EPHX2 (0.37) EPHX2PDE2A
SCHEMBL7858794 0.84 EPHX2 (0.40) EPHX2PDE2A
SCHEMBL8835318 0.84 PDE2A (0.34) EPHX2PDE2AKDM1A

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-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed