SCHEMBL8728612

SCHEMBL8728612

C=Cc1ccc([C@H]2CC[C@H](c3ccc(COCCCCC)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.45
SPHK2 Q9NRA0 7/20 0.40
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8728616 1.00 SPHK1 (0.45) SPHK1SPHK2CA1CA2
SCHEMBL8730879 0.96 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8730887 0.96 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8727320 0.92 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL8727324 0.92 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL1664388 0.89 CA1 (0.40) CA1CA2
SCHEMBL23727557 0.87 CA1 (0.42) CA1CA2
SCHEMBL4303930 0.87 CA1 (0.42) CA1CA2
SCHEMBL19971152 0.87 CA1 (0.42) CA1CA2
SCHEMBL1664187 0.87 CA1 (0.42) CA1CA2

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed