SCHEMBL6664872

SCHEMBL6664872

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
GCGR P47871 1/20 0.33
TEAD1 P28347 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
RCOR1 Q9UKL0 1/20 0.32
EPHX2 P34913 1/20 0.32
DAO P14920 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL6666723 0.92 HTR2C (0.34)
SCHEMBL6667749 0.89 HTR2C (0.40) TEAD1
SCHEMBL6663860 0.88 GRM2 (0.32) GRM2GCGRTEAD1L3MBTL1KDM1A
SCHEMBL6663918 0.87 HTR2C (0.31)
SCHEMBL6665435 0.87 SLC6A4 (0.33) GRM2GCGRL3MBTL1KDM1AGPR84
SCHEMBL6661099 0.86 ESR2 (0.35)
SCHEMBL6663461 0.85 ESR2 (0.36) GRM2L3MBTL1KDM1ASLC6A4SLC6A3
SCHEMBL6663932 0.84 SPHK1 (0.31)
SCHEMBL6664061 0.84 ESR2 (0.32)
SCHEMBL6662950 0.84 ESR2 (0.32)

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