SCHEMBL8728443

SCHEMBL8728443

CCC=C[C@H]1CC[C@H](c2ccc(COCCCC)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.41
SPHK2 Q9NRA0 7/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8728439 1.00 SPHK1 (0.41) SPHK1SPHK2RAB9A
SCHEMBL8728435 1.00 SPHK1 (0.41) SPHK1SPHK2RAB9A
SCHEMBL8730413 0.96 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8730403 0.96 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8730405 0.96 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8726944 0.91 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL8726934 0.91 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL8726937 0.91 SPHK1 (0.40) SPHK1SPHK2RAB9A
SCHEMBL8727780 0.90 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL8727775 0.90 SPHK1 (0.34) SPHK1SPHK2

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