SCHEMBL6663949

SCHEMBL6663949

CCC[C@H]1CC[C@H](c2cc(F)c(C(F)(F)OCCc3cc(F)c(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 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
SCHEMBL6665632 0.92 SPHK1 (0.30)
SCHEMBL6661865 0.89 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6663200 0.89 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6663214 0.88 CYP2C9 (0.31) CYP2C9
SCHEMBL6666429 0.86 ALDH1A1 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6666399 0.86 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6664179 0.84 HCRTR1 (0.34) CYP2C9
SCHEMBL6665360 0.84 GCGR (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667690 0.84 KDM1A (0.34) CYP2C9
SCHEMBL6667884 0.83 MAOA (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1

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