SCHEMBL27977003

SCHEMBL27977003

COC(=O)C(C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.68
MAOB P27338 3/20 0.59
PPARG P37231 5/20 0.58
PPARA Q07869 3/20 0.57
LAP3 P28838 1/20 0.56
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PPARD Q03181 1/20 0.54
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54

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
SCHEMBL21366441 1.00 LTA4H (0.68) LTA4HMAOBPPARGPPARALAP3
SCHEMBL25901508 0.90 LTA4H (0.65) LTA4HMAOBPPARGPPARALAP3
SCHEMBL16998508 0.87 NPC1 (0.64) LTA4HFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4665082 0.87 FFAR1 (0.67) LTA4HMAOBPPARGPPARALAP3
SCHEMBL10071090 0.87 FFAR1 (0.67) LTA4HMAOBPPARGPPARALAP3
SCHEMBL517463 0.86 ALDH1A1 (0.60) NPC1RAB9AL3MBTL1
SCHEMBL2600694 0.86 ALDH1A1 (0.60) NPC1RAB9AL3MBTL1
SCHEMBL17761604 0.86 ALDH1A1 (0.60) NPC1RAB9AL3MBTL1
SCHEMBL2164928 0.86 LTA4H (0.72) LTA4HMAOBPPARGPPARALAP3
SCHEMBL6732617 0.86 LTA4H (0.72) LTA4HMAOBPPARGPPARALAP3

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
CN-103958465-B Phenyl derivatives 小野药品工业株式会社 2016-08-31 CN disclosed
CN-103958465-A Phenyl derivative ONO PHARMACEUTICAL CO 2014-07-30 CN disclosed