SCHEMBL3833101

SCHEMBL3833101

O=C(O)CCCCCCCCCCC(=O)OCOC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HIF1A Q16665 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SLC6A2 P23975 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL27593052 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27593059 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3831107 0.98 TDP1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27593058 0.95 TDP1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3833098 0.95 TDP1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27593049 0.95 TDP1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3831105 0.93 TDP1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4570316 0.90 TDP1 (0.60) TDP1MAPTMAPK1SLC6A3HIF1A
SCHEMBL9065162 0.87 TDP1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6327206 0.83 TDP1 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP disclosed
CN-100516018-C Double esters PHOTOCURE ASA (NO) 2009-07-22 CN disclosed
CN-1589254-A Double esters PHOTOCURE ASA (NO) 2005-03-02 CN disclosed
EP-1448508-A1 DOUBLE ESTERS Photocure ASA (NO) 2004-08-25 EP disclosed
WO-2003045893-A1 DOUBLE ESTERS PHOTOCURE ASA (NO) 2003-06-05 WO disclosed