SCHEMBL4455772

SCHEMBL4455772

O=C(O)CCSC(=S)SCCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
TSHR P16473 3/20 0.55
LMNA P02545 5/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
EGLN1 Q9GZT9 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.38
APEX1 P27695 2/20 0.38
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL16558618 0.90 CYP1A2 (0.60) CYP1A2TSHRLMNAKMT2AHSD17B10
SCHEMBL4445906 0.89 CYP1A2 (0.54) CYP1A2TSHRLMNAKMT2AHSD17B10
SCHEMBL4731418 0.85 CYP1A2 (0.50) CYP1A2TSHRKMT2AHSD17B10TDP1
SCHEMBL11856427 0.84 TSHR (0.48) CYP1A2TSHRLMNAKMT2AHSD17B10
SCHEMBL3683345 0.83 CYP1A2 (0.48) CYP1A2TSHRLMNAKMT2AHSD17B10
SCHEMBL3083750 0.80 CYP1A2 (0.50) CYP1A2TSHRLMNAKMT2AHSD17B10
SCHEMBL1592688 0.79 CYP1A2 (0.60) CYP1A2TSHRLMNAKMT2AHSD17B10
SCHEMBL3234602 0.79
SCHEMBL237595 0.79 CYP2C19 (0.61) CYP1A2TDP1CYP2C19ALDH1A1HDAC3
SCHEMBL10956219 0.77 CYP1A2 (0.95) CYP1A2TSHRLMNAKMT2AHSD17B10

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
US-20130136848-A1 POLYMERISATION PROCESS AND POLYMER PRODUCT THE UNIVERSITY OF SYDNEY (AU) 2013-05-30 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