SCHEMBL6665401

SCHEMBL6665401

CCCCCC1CCC(c2ccc(COC(F)(F)Cc3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.35
HCRTR1 O43613 6/20 0.34
HCRTR2 O43614 6/20 0.34
P2RX7 Q99572 4/20 0.34
PDE2A O00408 1/20 0.33
CYP2C9 P11712 1/20 0.32
SPHK2 Q9NRA0 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
SCHEMBL6663137 0.93 CYP2C9 (0.39) HCRTR1HCRTR2P2RX7PDE2ACYP2C9
SCHEMBL6662992 0.90 SPHK1 (0.35) SPHK1CYP2C9SPHK2
SCHEMBL6665833 0.89 SPHK1 (0.38) SPHK1CYP2C9SPHK2
SCHEMBL6664093 0.88 SPHK1 (0.34) SPHK1HCRTR1HCRTR2CYP2C9SPHK2
SCHEMBL6663127 0.88 SPHK1 (0.38) SPHK1CYP2C9SPHK2
SCHEMBL6660741 0.87 SPHK1 (0.44) SPHK1CYP2C9SPHK2
SCHEMBL6665035 0.86 SPHK1 (0.38) SPHK1CYP2C9SPHK2
SCHEMBL6666573 0.85 SPHK1 (0.40) SPHK1CYP2C9SPHK2
SCHEMBL6661293 0.85 SPHK1 (0.40) SPHK1CYP2C9SPHK2
SCHEMBL6668744 0.85 SPHK1 (0.40) 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