SCHEMBL4069776

SCHEMBL4069776

C=C(C)C(=O)C[C](CCC)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.36
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
HDAC6 Q9UBN7 1/20 0.31
CTSD P07339 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL16445002 0.75 HDAC3 (0.46) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL2750602 0.71
SCHEMBL7594003 0.71 CES1 (0.48) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL16140641 0.68 ALDH1A1 (0.45) CA1CA2
SCHEMBL27583407 0.68 CES2 (0.35) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL6119016 0.67 CES2 (0.31) CES1CES2
SCHEMBL536402 0.64 PTGS1 (0.35)
SCHEMBL16445130 0.64 AKR1B1 (0.43) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL20547596 0.64 LMNA (0.36)
SCHEMBL29170706 0.64 CA12 (0.36) CA12CA2CA9

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-1903399-B1 Method for developing and sealing of lithographic printing plates EASTMAN KODAK CO (US) 2009-10-21 EP claimed