SCHEMBL12834612

SCHEMBL12834612

C=CC1CCC(c2ccc(CCc3ccc(OCC)c(F)c3C(F)(F)F)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.32
KDM1A O60341 2/20 0.30

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
SCHEMBL22277601 0.87 FFAR4 (0.34) SPHK1KDM1A
SCHEMBL22277590 0.87 SPHK1 (0.32) SPHK1KDM1A
SCHEMBL12834587 0.86 CYP2C9 (0.38) SPHK1KDM1A
SCHEMBL14311221 0.86 SPHK1 (0.32) SPHK1KDM1A
SCHEMBL12834205 0.85 FFAR4 (0.30)
SCHEMBL13235327 0.84 SPHK1 (0.32) SPHK1KDM1A
SCHEMBL13026085 0.83 SPHK1 (0.40) SPHK1
SCHEMBL22277430 0.81 FFAR4 (0.37) SPHK1KDM1A
SCHEMBL13026117 0.81 SPHK1 (0.38) SPHK1
SCHEMBL12834715 0.81

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-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed