SCHEMBL8641908

SCHEMBL8641908

CCOC(=O)NCCCC(O)=S

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
ACHE P22303 14/20 0.48
HTT P42858 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15549930 0.85 HTT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10778878 0.82 ACHE (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8638899 0.82 EPHX1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21068069 0.82 ACHE (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7570219 0.82 ACHE (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25349245 0.81 CYP1A2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7770088 0.81 ACHE (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7385877 0.81 ACHE (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7570224 0.80 ACHE (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1023071 0.80 ACHE (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756822-A ANTIULCER KAKEN PHARMACEUTICAL CO., LTD. (JP) 1998-05-26 US disclosed
US-5672597-A ANTIULCER AGENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1997-09-30 US disclosed