SCHEMBL20429151

SCHEMBL20429151

CC(CNC(=O)OC(C)(C)C)c1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SERPINE1 P05121 1/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
ATM Q13315 1/20 0.38
EPHX2 P34913 1/20 0.38
CA2 P00918 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27370019 0.89 SYK (0.46) SYKPCSK9AAK1GAAL3MBTL1
SCHEMBL30669312 0.87 CXCR1 (0.46) SYKADRB3ATM
SCHEMBL12817338 0.85 ACHE (0.44) SYKPPARGPPARAPCSK9AAK1
SCHEMBL31724476 0.84 SYK (0.43) SYKPPARGPPARAADRB2ADRB1
SCHEMBL12987710 0.84 SYK (0.43) SYKPPARGPPARAADRB2ADRB1
SCHEMBL2552301 0.84 AAK1 (0.50) SYKPCSK9AAK1SERPINE1CTSS
SCHEMBL255676 0.84 AAK1 (0.50) SYKPCSK9AAK1SERPINE1CTSS
SCHEMBL165863 0.84 SYK (0.41) SYKPCSK9AAK1TDP1GAA
SCHEMBL5877530 0.84 AAK1 (0.50) SYKPCSK9AAK1SERPINE1CTSS
SCHEMBL27372046 0.84 ACACB (0.44) SYKADRB2ADRB1PCSK9TDP1

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-3354643-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2018-08-01 EP disclosed