SCHEMBL8727248

SCHEMBL8727248

C=C[C@H]1CC[C@H](OC(F)(F)c2ccc(-c3ccc(-c4ccc(COCCCCC)cc4)cc3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 10/20 0.34
UGCG Q16739 10/20 0.34
GBA2 Q9HCG7 10/20 0.34
RARB P10826 2/20 0.34
LCT P09848 4/20 0.33
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
RORC P51449 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RORA P35398 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
RARA P10276 1/20 0.32
KIF11 P52732 1/20 0.31
NAAA Q02083 1/20 0.30
PPARD Q03181 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
SCHEMBL8732620 0.83 RARB (0.37) GBA1UGCGGBA2RARBLCT
SCHEMBL8731484 0.81 RARB (0.37) GBA1UGCGGBA2RARBLCT
SCHEMBL8727638 0.81 RARB (0.38) GBA1UGCGGBA2RARBLCT
SCHEMBL8727155 0.80 GBA1 (0.39) GBA1UGCGGBA2RARBLCT
SCHEMBL8730493 0.79 RARB (0.39) GBA1UGCGGBA2RARBLCT
SCHEMBL8725553 0.79 PTPN2 (0.32) GABRA1GABRB2
SCHEMBL8725558 0.79 PTPN2 (0.32) GABRA1GABRB2
SCHEMBL8725561 0.79 PTPN2 (0.32) GABRA1GABRB2
SCHEMBL8732000 0.79 GBA1 (0.40) GBA1UGCGGBA2RARBLCT
SCHEMBL8730381 0.78 RARB (0.33) GBA1UGCGGBA2RARBLCT

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