SCHEMBL8730783

SCHEMBL8730783

C=C[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(COCCC)cc4)CC3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.35
SPHK2 Q9NRA0 7/20 0.32
ESR2 Q92731 1/20 0.30
DRD2 P14416 1/20 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
SCHEMBL8727111 1.00 SPHK1 (0.35) SPHK1SPHK2ESR2DRD2
SCHEMBL8727097 1.00 SPHK1 (0.35) SPHK1SPHK2ESR2DRD2
SCHEMBL8730772 1.00 SPHK1 (0.35) SPHK1SPHK2ESR2DRD2
SCHEMBL8727107 1.00 SPHK1 (0.35) SPHK1SPHK2ESR2DRD2
SCHEMBL8730777 1.00 SPHK1 (0.35) SPHK1SPHK2ESR2DRD2
SCHEMBL8727183 0.96 SPHK1 (0.33) SPHK1SPHK2
SCHEMBL8727189 0.96 SPHK1 (0.33) SPHK1SPHK2
SCHEMBL8727191 0.96 SPHK1 (0.33) SPHK1SPHK2
SCHEMBL8727862 0.96 SPHK1 (0.38) SPHK1SPHK2ESR2DRD2
SCHEMBL8727854 0.96 SPHK1 (0.38) SPHK1SPHK2ESR2DRD2

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