SCHEMBL8962943

SCHEMBL8962943

Fc1cc(C2CCC([C@H]3CC[C@H](/C=C/Cl)CC3)CC2)ccc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.34
PDE2A O00408 8/20 0.33
FFAR4 Q5NUL3 1/20 0.31
S1PR1 P21453 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
SCHEMBL8963026 0.96 EPHX2 (0.36) EPHX2PDE2AS1PR1
SCHEMBL8963018 0.96 EPHX2 (0.36) EPHX2PDE2AS1PR1
SCHEMBL9543549 0.90 KDM1A (0.39) EPHX2PDE2A
SCHEMBL8963176 0.87 CTSK (0.37) EPHX2PDE2AS1PR1
SCHEMBL8963179 0.87 CTSK (0.37) EPHX2PDE2AS1PR1
SCHEMBL8835502 0.86 PDE2A (0.33) EPHX2PDE2AFFAR4
SCHEMBL8835498 0.86 PDE2A (0.33) EPHX2PDE2AFFAR4
SCHEMBL23666201 0.85 EPHX2 (0.35) EPHX2PDE2AFFAR4
SCHEMBL12975898 0.84 EPHX2 (0.35) EPHX2PDE2AFFAR4S1PR1
SCHEMBL8452143 0.84 EPHX2 (0.32) EPHX2PDE2A

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