SCHEMBL9056002

SCHEMBL9056002

CCC(C)CCC1CCC(CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
EPHX2 P34913 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
TSHR P16473 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
HRH3 Q9Y5N1 2/20 0.37
DAGLB Q8NCG7 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37
SCN9A Q15858 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8562619 0.93 EPHX2 (0.39) EPHX2DRD2DRD4DRD3TSHR
SCHEMBL8045198 0.87 JAK2 (0.36) GRM2EPHX2TSHRFFAR4DAGLB
SCHEMBL8569322 0.86 EPHX2 (0.38) EPHX2DRD2DRD4DRD3TSHR
SCHEMBL8045439 0.85 L3MBTL1 (0.40) GRM2EPHX2GPR88ALDH1A1
SCHEMBL8046553 0.85 FFAR4 (0.33) GRM2FFAR4
SCHEMBL8034592 0.84 EPHX2 (0.38) GRM2EPHX2FFAR4
SCHEMBL8559382 0.84 GRM2 (0.42) GRM2DRD2DRD4DRD3TSHR
SCHEMBL8567647 0.84 MAOB (0.45) SLC6A4HRH3ALDH1A1
SCHEMBL15443592 0.81 DRD2 (0.39) EPHX2DRD2DRD4DRD3TSHR
SCHEMBL5344231 0.80 TSHR (0.47) DRD2DRD4DRD3TSHRFFAR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed