SCHEMBL8727155

SCHEMBL8727155

C=C[C@H]1CC[C@H](COCc2ccc(-c3ccc(-c4ccc(COCCCCC)cc4F)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.39
UGCG Q16739 6/20 0.39
GBA2 Q9HCG7 6/20 0.39
LCT P09848 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
RARB P10826 1/20 0.37
CNR2 P34972 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL8732000 0.87 GBA1 (0.40) GBA1UGCGGBA2LCTMGAM
SCHEMBL8727638 0.85 RARB (0.38) GBA1UGCGGBA2LCTMGAM
SCHEMBL8732620 0.84 RARB (0.37) GBA1UGCGGBA2LCTMGAM
SCHEMBL8727151 0.82 GBA1 (0.37) GBA1UGCGGBA2LCTMGAM
SCHEMBL8730493 0.82 RARB (0.39) GBA1UGCGGBA2LCTMGAM
SCHEMBL8731484 0.81 RARB (0.37) GBA1UGCGGBA2LCTMGAM
SCHEMBL8730381 0.80 RARB (0.33) GBA1UGCGGBA2LCTMGAM
SCHEMBL8727248 0.80 GBA1 (0.34) GBA1UGCGGBA2LCTMGAM
SCHEMBL8732323 0.79 FASN (0.34) GBA1UGCGGBA2LCTMGAM
SCHEMBL8725259 0.78 CYP3A4 (0.34) 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