SCHEMBL7028530

SCHEMBL7028530

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 14/20 0.34
FAAH O00519 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GBA1 P04062 2/20 0.31
LCT P09848 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7029849 0.88 L3MBTL1 (0.30) L3MBTL1
SCHEMBL7029902 0.87 NAAA (0.33) NAAAFAAHABCB1GBA1LCT
SCHEMBL7031003 0.86 NAAA (0.32) NAAAFAAHABCB1
SCHEMBL12656124 0.84 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL7028535 0.83 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL8390538 0.83 NAAA (0.34) NAAA
SCHEMBL8972574 0.82 CYP11B2 (0.36) CYP11B1CYP11B2
SCHEMBL8972569 0.82 CYP11B2 (0.36) CYP11B1CYP11B2
SCHEMBL7024343 0.82 NAAA (0.35) NAAAFAAHABCB1GBA1LCT
SCHEMBL8725535 0.82 NAAA (0.35) NAAAFAAHABCB1GBA1LCT

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