SCHEMBL8860334

SCHEMBL8860334

CCCCC[C]1CCC(c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
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
SCHEMBL9506590 0.76 MEN1 (0.40) SPHK1
SCHEMBL9506596 0.76 MEN1 (0.40) SPHK1
SCHEMBL9763974 0.75 MAPT (0.40) SPHK1SPHK2
SCHEMBL7511813 0.75 MEN1 (0.39) SPHK1
SCHEMBL9763620 0.75 MAPT (0.40) SPHK1SPHK2
SCHEMBL9763968 0.75 MAPT (0.40) SPHK1SPHK2
SCHEMBL8452712 0.75 MEN1 (0.39) SPHK1
SCHEMBL9763556 0.75 MAPT (0.40) SPHK1SPHK2
SCHEMBL7514371 0.75 MAPT (0.40) SPHK1SPHK2
SCHEMBL8452707 0.75 MEN1 (0.39) SPHK1

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
US-5618466-A THREE-COMPONENT MIXTURE OF CARBO-CONTAINING ESTERS, NITRILES, FLUORIDES AND/OR ETHERS; LOW VOLTAGE DRIVE; LOW ENERGY; CONTRAST; REDUCED TEMPERATURE-DEPENDENCY CHISSO CORPORATION (JP) 1997-04-08 US disclosed