SCHEMBL6663860

SCHEMBL6663860

C=CCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
TEAD1 P28347 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SCN9A Q15858 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
KDM1A O60341 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
GCGR P47871 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
EPHX2 P34913 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30

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
SCHEMBL6665865 0.92 ESR2 (0.34)
SCHEMBL6664155 0.90 ESR2 (0.33)
SCHEMBL6667702 0.89 HTR2C (0.38)
SCHEMBL6662950 0.88 ESR2 (0.32)
SCHEMBL6664061 0.88 ESR2 (0.32)
SCHEMBL6664872 0.88 GRM2 (0.33) GRM2TEAD1L3MBTL1KDM1AGPR84
SCHEMBL6661260 0.88 GCGR (0.31) GRM2L3MBTL1SCN9ADRD2DRD4
SCHEMBL6665638 0.87 ESR2 (0.33)
SCHEMBL6665431 0.87 ALDH1A1 (0.33)
SCHEMBL6665113 0.87 ALDH1A1 (0.40)

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed