SCHEMBL6665044

SCHEMBL6665044

CCC[C@H]1CC[C@H](c2ccc(CCOC(F)(F)c3ccc([C@H]4CC[C@H](CCC)CC4)cc3F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SPHK1 Q9NYA1 12/20 0.36
SPHK2 Q9NRA0 7/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL6663755 0.97 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6665140 0.97 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6663077 0.97 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6663828 0.96 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6666376 0.96 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6667628 0.95 SPHK1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6666214 0.95 SPHK1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6661886 0.94 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6662904 0.93 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6665306 0.93 CYP2C9 (0.36) 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