SCHEMBL10100089

SCHEMBL10100089

O=C(Cc1csc(-c2cccs2)c1)OCC1C2C=CC(C2)C1COC(=O)Cc1ccsc1-c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.32
HDAC3 O15379 4/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 4/20 0.31

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
SCHEMBL14319044 0.89 HDAC1 (0.33) RPS6KB2HDAC3HDAC1HDAC2
SCHEMBL10100088 0.82 KDM4E (0.36) HDAC3HDAC1HDAC2
SCHEMBL10100091 0.77 RPS6KB2 (0.34) RPS6KB2HDAC3HDAC1HDAC2
SCHEMBL12265775 0.74 HDAC1 (0.32) HDAC3HDAC1HDAC2
SCHEMBL14319040 0.70 HDAC1 (0.36) HDAC3HDAC1HDAC2
SCHEMBL2744940 0.69 HDAC1 (0.34) HDAC3HDAC1HDAC2
SCHEMBL10100092 0.67 KDM4E (0.34) HDAC3HDAC1HDAC2
SCHEMBL5053028 0.64 ALDH1A1 (0.47)
SCHEMBL10100097 0.63 TSHR (0.31)
SCHEMBL14646210 0.62 RPS6KB2 (0.44) RPS6KB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US disclosed
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed