SCHEMBL8727638

SCHEMBL8727638

C=C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(COCCCCC)cc4)cc3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
GBA1 P04062 7/20 0.36
UGCG Q16739 7/20 0.36
GBA2 Q9HCG7 7/20 0.36
LCT P09848 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
FASN P49327 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SPHK1 Q9NYA1 4/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
APP P05067 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 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) RARBGBA1UGCGGBA2LCT
SCHEMBL8732000 0.94 GBA1 (0.40) RARBGBA1UGCGGBA2LCT
SCHEMBL8732323 0.94 FASN (0.34) RARBGBA1UGCGGBA2LCT
SCHEMBL8731484 0.92 RARB (0.37) RARBGBA1UGCGGBA2LCT
SCHEMBL8725259 0.89 CYP3A4 (0.34) RARBGBA1UGCGGBA2LCT
SCHEMBL8727414 0.89 GABRA1 (0.32) RARBFASNGABRA1GABRB2
SCHEMBL8725426 0.87 SPHK1 (0.42) GBA1UGCGGBA2SPHK1CNR2
SCHEMBL8732865 0.87 SPHK1 (0.42) GBA1UGCGGBA2SPHK1CNR2
SCHEMBL8725430 0.87 SPHK1 (0.42) GBA1UGCGGBA2SPHK1CNR2
SCHEMBL8725468 0.86 GBA1 (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