SCHEMBL10100092

SCHEMBL10100092

C=CC1CC(C=C)C(COC(=O)Cc2cc(-c3cccs3)sc2-c2cccs2)C1COC(=O)Cc1cc(-c2cccs2)sc1-c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
HDAC1 Q13547 10/20 0.32
HDAC2 Q92769 10/20 0.32
HDAC3 O15379 8/20 0.32
GAA P10253 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
FABP3 P05413 1/20 0.32
FABP1 P07148 1/20 0.32
FABP2 P12104 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 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
SCHEMBL12265775 0.87 HDAC1 (0.32) KDM4EMAPTHDAC1HDAC2HDAC3
SCHEMBL10100090 0.86 KDM4E (0.32) KDM4EMAPTNPC1HDAC1HDAC2
SCHEMBL14319040 0.85 HDAC1 (0.36) KDM4EMAPTNPC1HDAC1HDAC2
SCHEMBL10100088 0.84 KDM4E (0.36) KDM4EMAPTNPC1HDAC1HDAC2
SCHEMBL10100091 0.81 RPS6KB2 (0.34) KDM4EMAPTNPC1HDAC1HDAC2
SCHEMBL10100102 0.79
SCHEMBL350856 0.79 ALDH1A1 (0.44) KDM4EMAPTNPC1HDAC1HDAC2
SCHEMBL2744940 0.77 HDAC1 (0.34) KDM4EMAPTNPC1HDAC1HDAC2
SCHEMBL10100109 0.76
SCHEMBL10100112 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9680102-B2 Formation of conjugated polymers for solid-state devices UNIVERSITY OF CONNECTICUT (US) 2017-06-13 US disclosed
US-20150331293-A1 COLOR TUNING OF ELECTROCHROMIC DEVICES USING AN ORGANIC DYE UNIV CONNECTICUT (US) 2015-11-19 US disclosed
US-8890130-B2 Formation of conjugated polymers for solid-state devices THE UNIVERSITY OF CONNECTICUT (US) 2014-11-18 US disclosed
US-20130235323-A1 ELECTROCHROMIC DEVICES PREPARED FROM THE IN SITU FORMATION OF CONJUGATED POLYMERS THE UNIVERSITY OF CONNECTICUT 2013-09-12 US disclosed
US-20130161600-A1 FORMATION OF CONJUGATED POLYMERS FOR SOLID-STATE DEVICES THE UNIVERSITY OF CONNECTICUT (US) 2013-06-27 US disclosed
US-8404515-B2 Formation of conjugated polymers for solid-state devices THE UNIVERSITY OF CONNECTICUT (US) 2013-03-26 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-20110233532-A1 FORMATION OF CONJUGATED POLYMERS FOR SOLID-STATE DEVICES THE UNIVERSITY OF CONNECTICUT 2011-09-29 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed