SCHEMBL8730381

SCHEMBL8730381

C=C[C@H]1CC[C@H](CCc2ccc(-c3ccc(-c4ccc(COCCC)cc4)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.33
GBA1 P04062 4/20 0.32
UGCG Q16739 4/20 0.32
GBA2 Q9HCG7 4/20 0.32
LCT P09848 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
RARA P10276 2/20 0.30
RARG P13631 1/20 0.30
F10 P00742 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
SCHEMBL8730493 0.90 RARB (0.39) RARBGBA1UGCGGBA2LCT
SCHEMBL8731237 0.89 GPR84 (0.36) GBA1UGCGGBA2GPR84GABRA1
SCHEMBL8731231 0.89 GPR84 (0.36) GBA1UGCGGBA2GPR84GABRA1
SCHEMBL8725259 0.86 CYP3A4 (0.34) RARBGBA1UGCGGBA2LCT
SCHEMBL8731156 0.85 MAOB (0.36) GPR84
SCHEMBL8731153 0.85 MAOB (0.36) GPR84
SCHEMBL8732616 0.85 GPR84 (0.32) GBA1UGCGGBA2LCTMGAM
SCHEMBL8732613 0.85 GPR84 (0.32) GBA1UGCGGBA2LCTMGAM
SCHEMBL8726997 0.84 MAOB (0.36) GPR84
SCHEMBL8726994 0.84 MAOB (0.36) GPR84

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