SCHEMBL28085585

SCHEMBL28085585

COC(=O)Cc1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.49
FFAR1 O14842 3/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47
BRD4 O60885 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
PPIA P62937 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
LRRK2 Q5S007 1/20 0.45
PTGER1 P34995 1/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL2395263 0.86 PTGER1 (0.56) FFAR4FFAR1L3MBTL1LMNAMAPT
SCHEMBL31757763 0.86 L3MBTL1 (0.56) L3MBTL1LMNAMAPTBRD4PTGER1
SCHEMBL2988197 0.86 L3MBTL1 (0.56) L3MBTL1LMNAMAPTBRD4PTGER1
SCHEMBL5446276 0.85 L3MBTL1 (0.53) L3MBTL1NPC1
SCHEMBL29284729 0.84 LMNA (0.52) LMNALRRK2PTGER1SMPD1HDAC1
SCHEMBL28085590 0.84 PTGER1 (0.52) NPC1MRGPRX4PPIAPTGER1
SCHEMBL28085734 0.84 MTNR1A (0.46) FFAR4L3MBTL1LMNAMAPTNPC1
SCHEMBL20954700 0.84 MTNR1A (0.58) L3MBTL1MAPTNPC1LRRK2HDAC8
SCHEMBL31032329 0.84 RXRA (0.57) MRGPRX4PPIALRRK2PTGER1
SCHEMBL28085676 0.83 CFD (0.53) FFAR4L3MBTL1LMNAMAPTNPC1

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-105849111-B Pyrans and the different cresol derivatives of baynide fibre and metabolic syndrome or treatment of inflammatory diseases pharmaceutical composition 格拉斯如睦株式会社 2018-05-04 CN disclosed
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed