SCHEMBL4774409

SCHEMBL4774409

[CH2]CCC(=O)OCC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PAM P19021 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 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
SCHEMBL2802412 0.85 HDAC6 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL126977 0.82 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL179682 0.80 CYP1A2 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20872192 0.80 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12905043 0.79 GAA (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20872178 0.78 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28328163 0.78 PAM (0.52) PAMMEN1GAAKMT2AL3MBTL1
SCHEMBL12914655 0.78 RECQL (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18126193 0.77 PAM (0.42) HDAC1HDAC2HDAC6PAM
SCHEMBL27697176 0.77 NAAA (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed