SCHEMBL8725426

SCHEMBL8725426

C=C[C@H]1CC[C@H](c2ccc(-c3ccc(COCCCCC)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
SPHK2 Q9NRA0 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
GBA1 P04062 1/20 0.34
UGCG Q16739 1/20 0.34
GBA2 Q9HCG7 1/20 0.34
CNR2 P34972 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
SCHEMBL8725430 1.00 SPHK1 (0.42) SPHK1SPHK2L3MBTL1GBA1UGCG
SCHEMBL8732865 1.00 SPHK1 (0.42) SPHK1SPHK2L3MBTL1GBA1UGCG
SCHEMBL8731449 0.96 SPHK1 (0.40) SPHK1SPHK2CNR2
SCHEMBL8731452 0.96 SPHK1 (0.40) SPHK1SPHK2CNR2
SCHEMBL8726962 0.92 SPHK1 (0.35) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL8732588 0.92 SPHK1 (0.35) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL8726965 0.92 SPHK1 (0.35) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL8727842 0.92 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8727836 0.92 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8727189 0.89 SPHK1 (0.33) 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