SCHEMBL8732000

SCHEMBL8732000

C=C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(COCCCCC)cc4F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.40
UGCG Q16739 3/20 0.40
GBA2 Q9HCG7 3/20 0.40
LCT P09848 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
RARB P10826 1/20 0.38
SPHK1 Q9NYA1 9/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
APP P05067 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.33
SPHK2 Q9NRA0 3/20 0.32

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
SCHEMBL8732620 0.95 RARB (0.37) GBA1UGCGGBA2LCTMGAM
SCHEMBL8727638 0.94 RARB (0.38) GBA1UGCGGBA2LCTMGAM
SCHEMBL8731484 0.92 RARB (0.37) GBA1UGCGGBA2LCTMGAM
SCHEMBL8725259 0.89 CYP3A4 (0.34) GBA1UGCGGBA2LCTMGAM
SCHEMBL8732323 0.88 FASN (0.34) GBA1UGCGGBA2LCTMGAM
SCHEMBL8725426 0.87 SPHK1 (0.42) GBA1UGCGGBA2SPHK1CNR2
SCHEMBL8725430 0.87 SPHK1 (0.42) GBA1UGCGGBA2SPHK1CNR2
SCHEMBL8732865 0.87 SPHK1 (0.42) GBA1UGCGGBA2SPHK1CNR2
SCHEMBL8727155 0.87 GBA1 (0.39) GBA1UGCGGBA2LCTMGAM
SCHEMBL8726728 0.86 FFAR4 (0.35) GBA1UGCGGBA2LCTMGAM

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