SCHEMBL6663460

SCHEMBL6663460

CCCCCC1CCC(c2ccc(COC(F)(F)Cc3ccc(OC(F)F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
SPHK1 Q9NYA1 12/20 0.37
CYP2C9 P11712 1/20 0.34
SPHK2 Q9NRA0 7/20 0.33

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
SCHEMBL6665156 0.92 CYP2C9 (0.41) IDO1SPHK1CYP2C9
SCHEMBL6660741 0.90 SPHK1 (0.44) SPHK1CYP2C9SPHK2
SCHEMBL6661887 0.88 CYP2C9 (0.44) SPHK1CYP2C9SPHK2
SCHEMBL6667375 0.88 CYP2C9 (0.44) SPHK1CYP2C9SPHK2
SCHEMBL8379978 0.88 IDO1 (0.44) IDO1SPHK1CYP2C9SPHK2
SCHEMBL4800577 0.88 IDO1 (0.44) IDO1SPHK1CYP2C9SPHK2
SCHEMBL6664093 0.87 SPHK1 (0.34) SPHK1CYP2C9SPHK2
SCHEMBL6666345 0.87 SPHK1 (0.34) SPHK1CYP2C9SPHK2
SCHEMBL6665035 0.87 SPHK1 (0.38) SPHK1CYP2C9SPHK2
SCHEMBL6667716 0.87 SPHK1 (0.41) SPHK1CYP2C9SPHK2

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