SCHEMBL8725468

SCHEMBL8725468

C=C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(COCCC)cc4F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.34
LCT P09848 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
FASN P49327 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL8727414 0.93 GABRA1 (0.32) GABRA1GABRB2FASN
SCHEMBL8732323 0.92 FASN (0.34) GBA1LCTUGCGGBA2MGAM
SCHEMBL8725259 0.89 CYP3A4 (0.34) GBA1LCTUGCGGBA2MGAM
SCHEMBL8727638 0.86 RARB (0.38) GBA1LCTUGCGGBA2MGAM
SCHEMBL8732000 0.86 GBA1 (0.40) GBA1LCTUGCGGBA2MGAM
SCHEMBL8727279 0.85 GABRA1 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8731484 0.84 RARB (0.37) GBA1LCTUGCGGBA2MGAM
SCHEMBL8732620 0.83 RARB (0.37) GBA1LCTUGCGGBA2MGAM
SCHEMBL8731083 0.82 FFAR4 (0.33) GBA1UGCGGBA2GABRA1GABRB2
SCHEMBL8725582 0.81 SPHK1 (0.30)

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