SCHEMBL6665360

SCHEMBL6665360

CCC[C@H]1CC[C@H](c2cc(F)c(C(F)(F)OCCc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6664204 0.93 ALOX5 (0.35) TSHREPHX2SLC6A4SLC6A3ALOX5
SCHEMBL6664179 0.88 HCRTR1 (0.34) EPHX2CYP2C9HCRTR1HCRTR2
SCHEMBL6663900 0.88 CYP2C9 (0.34) GCGRTSHRSLC6A4SLC6A3CYP2C9
SCHEMBL6661865 0.87 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6663200 0.86 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6662710 0.85 ALDH1A1 (0.41) GCGRTSHREPHX2SLC6A4SLC6A3
SCHEMBL6667884 0.85 MAOA (0.34) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL6663949 0.84 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6663764 0.82 SPHK1 (0.35) TSHRALOX5PPARGKDM1ARCOR1
SCHEMBL6663468 0.82 HCRTR1 (0.33) EPHX2HCRTR1HCRTR2

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