SCHEMBL21593940

SCHEMBL21593940

CCCCCCCC[C@H](F)[C@H](O)CC(=O)C[C@@H](O)[C@@H](F)CCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
GPR84 Q9NQS5 8/20 0.50
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.44
SPHK1 Q9NYA1 2/20 0.44
CES2 O00748 1/20 0.44
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CYP2D6 P10635 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL21593936 1.00 MAPT (0.52) MAPTGPR84FFAR1FFAR4SPHK1
SCHEMBL8948112 0.89 GPR84 (0.61) MAPTGPR84FFAR1FFAR4LCK
SCHEMBL8948174 0.78 MAPT (0.50) MAPTGPR84FFAR1SPHK1CYP2D6
SCHEMBL21593938 0.78 SPHK1 (0.45) MAPTGPR84FFAR1FFAR4SPHK1
SCHEMBL21593937 0.78 SPHK1 (0.45) MAPTGPR84FFAR1FFAR4SPHK1
SCHEMBL8948179 0.77 MAPT (0.44) MAPTGPR84FFAR1FFAR4SPHK1
SCHEMBL8182270 0.77 MAPT (0.52) MAPTGPR84FFAR1FFAR4CES2
SCHEMBL9754003 0.74 SPHK1 (0.50) MAPTGPR84FFAR1FFAR4SPHK1
SCHEMBL6083417 0.74 SPHK1 (0.50) MAPTGPR84FFAR1FFAR4SPHK1
SCHEMBL10619872 0.73 MAPT (0.64) MAPTGPR84FFAR1FFAR4CES2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581553-B1 NOVEL FLUORINATED POLYOLS AND THEIR USE AS ORGANOGELATORS CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2019238582-A1 NOVEL FLUORINATED POLYOLS AND THEIR USE AS ORGANOGELATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-12-19 WO disclosed