SCHEMBL10100091

SCHEMBL10100091

C=CC1CC(C=C)C(COC(=O)Cc2csc(-c3cccs3)c2)C1COC(=O)Cc1csc(-c2cccs2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.34
HDAC3 O15379 4/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 4/20 0.31
MAPT P10636 3/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KEAP1 Q14145 1/20 0.31
KDM4E B2RXH2 3/20 0.31
KMT2A Q03164 2/20 0.31
MGLL Q99685 2/20 0.31
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10100092 0.81 KDM4E (0.34) HDAC3HDAC1HDAC2MAPTGAA
SCHEMBL12265775 0.81 HDAC1 (0.32) HDAC3HDAC1HDAC2MAPTGAA
SCHEMBL14319044 0.78 HDAC1 (0.33) RPS6KB2HDAC3HDAC1HDAC2
SCHEMBL10100089 0.77 RPS6KB2 (0.32) RPS6KB2HDAC3HDAC1HDAC2
SCHEMBL10100090 0.68 KDM4E (0.32) HDAC3HDAC1HDAC2MAPTGAA
SCHEMBL14319040 0.65 HDAC1 (0.36) HDAC3HDAC1HDAC2MAPTGAA
SCHEMBL10100088 0.65 KDM4E (0.36) HDAC3HDAC1HDAC2MAPTGAA
SCHEMBL1448028 0.62 EPHX2 (0.54) MAPTALDH1A1KDM4EKMT2ANPC1
SCHEMBL19102645 0.60 ALDH1A1 (0.38) MAPTALDH1A1LMNA
SCHEMBL17967427 0.60 LTA4H (0.40) MAPTGAAALDH1A1KEAP1KDM4E

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-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-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