SCHEMBL8727191

SCHEMBL8727191

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(-c4ccc(COCCC)cc4)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SPHK2 Q9NRA0 7/20 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
SCHEMBL8727183 1.00 SPHK1 (0.33) SPHK1GABRA1GABRB2SPHK2
SCHEMBL8727189 1.00 SPHK1 (0.33) SPHK1GABRA1GABRB2SPHK2
SCHEMBL8730777 0.96 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL8727097 0.96 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL8727107 0.96 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL8726962 0.96 SPHK1 (0.35) SPHK1GABRA1GABRB2SPHK2
SCHEMBL8726965 0.96 SPHK1 (0.35) SPHK1GABRA1GABRB2SPHK2
SCHEMBL8730772 0.96 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL8730783 0.96 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL8732588 0.96 SPHK1 (0.35) SPHK1GABRA1GABRB2SPHK2

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