SCHEMBL8962707

SCHEMBL8962707

FC(F)(F)Oc1ccc(-c2ccc(C3CCC(/C=C/Cl)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
P2RY14 Q15391 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
EPHX2 P34913 1/20 0.36
S1PR1 P21453 1/20 0.36
SCN5A Q14524 3/20 0.35
GRIN2B Q13224 2/20 0.35
GRM2 Q14416 2/20 0.35
KIF11 P52732 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
DHODH Q02127 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL8962715 1.00 L3MBTL1 (0.41) L3MBTL1P2RY14SCN10AEPHX2S1PR1
SCHEMBL8962816 0.96 L3MBTL1 (0.38) L3MBTL1EPHX2GRM2KDM1ARCOR1
SCHEMBL8962828 0.96 L3MBTL1 (0.38) L3MBTL1EPHX2GRM2KDM1ARCOR1
SCHEMBL8963027 0.92 MEN1 (0.36) L3MBTL1P2RY14EPHX2GRM2KDM1A
SCHEMBL8963064 0.89 EPHX2 (0.37) L3MBTL1EPHX2GRM2KDM1ARCOR1
SCHEMBL8963060 0.89 EPHX2 (0.37) L3MBTL1EPHX2GRM2KDM1ARCOR1
SCHEMBL8963179 0.82 CTSK (0.37) EPHX2S1PR1GRIN2BGRM2DHODH
SCHEMBL8963176 0.82 CTSK (0.37) EPHX2S1PR1GRIN2BGRM2DHODH
SCHEMBL8962900 0.81 HTR2C (0.53) P2RY14KIF11KDM1A
SCHEMBL8963003 0.81 DRD2 (0.42) KDM1AMEN1KMT2A

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