SCHEMBL7028215

SCHEMBL7028215

CCCC[C@H]1CO[C@H](c2ccc(-c3ccc(COC)c(F)c3)cc2)OC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.35
NAAA Q02083 11/20 0.33
GBA1 P04062 2/20 0.32
LCT P09848 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
FAAH O00519 1/20 0.31
ABCB1 P08183 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
SCHEMBL7027471 0.97 ESR2 (0.33) ESR2NAAAGBA1LCTUGCG
SCHEMBL7027891 0.93 NAAA (0.34) ESR2NAAAGBA1LCTUGCG
SCHEMBL7026189 0.89 ESR2 (0.33) ESR2
SCHEMBL7028360 0.85 ESR2 (0.31) ESR2
SCHEMBL7028220 0.85 ESR2 (0.35) ESR2
SCHEMBL7031003 0.84 NAAA (0.32) NAAAFAAHABCB1
SCHEMBL8390548 0.84 LTB4R2 (0.34) ESR2NAAAGBA1LCTUGCG
SCHEMBL9764101 0.83 ESR2 (0.34) ESR2
SCHEMBL19500347 0.83 ESR2 (0.34) ESR2
SCHEMBL7027472 0.82 RARB (0.35) ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed