SCHEMBL3690476

SCHEMBL3690476

CC(SC(=S)SCC#N)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11433313 0.79 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12548837 0.77 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1549986 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10
SCHEMBL918555 0.73 CYP1A2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19227482 0.73
SCHEMBL29953117 0.72
SCHEMBL31539134 0.72 EPHX1 (0.45) HDAC11ALDH1A1HSD17B10
SCHEMBL2362720 0.71 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL180793 0.71 EPHX1 (0.36) ALDH1A1HSD17B10
SCHEMBL11444351 0.70 TSHR (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569441-B2 Process for transforming the end groups of polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-10-29 US disclosed
US-20100137548-A1 PROCESS FOR TRANSFORMING THE END GROUPS OF POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-06-03 US disclosed
EP-2132235-A1 PROCESS FOR TRANSFORMING THE END GROUPS OF POLYMERS Commonwealth Scientific and Industrial Research Organisation (AU) 2009-12-16 EP disclosed
WO-2008103144-A1 PROCESS FOR TRANSFORMING THE END GROUPS OF POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-08-28 WO disclosed