SCHEMBL6661271

SCHEMBL6661271

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(C#N)cc3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SPHK1 Q9NYA1 11/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KIF11 P52732 1/20 0.32
SPHK2 Q9NRA0 7/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 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
SCHEMBL6666989 0.94 MEN1 (0.34) TSHRHSD17B10MAOAMAOBKIF11
SCHEMBL6665405 0.92 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6666356 0.91 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL6667708 0.91 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL6667628 0.90 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6666214 0.90 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6661155 0.89 AOC3 (0.33) SPHK1
SCHEMBL6664119 0.89 SPHK1 (0.30) SPHK1
SCHEMBL6666641 0.89 TSHR (0.37) TSHRHSD17B10SPHK1MAOAMAOB
SCHEMBL6664037 0.89 SPHK1 (0.39) SPHK1SPHK2

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