SCHEMBL10100090

SCHEMBL10100090

C=CC1CC(C=C)C(COC(=O)Cc2cc(-c3cccs3)sc2-c2cccs2)C1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC3 O15379 2/20 0.31
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
FABP3 P05413 1/20 0.30
FABP1 P07148 1/20 0.30
FABP2 P12104 1/20 0.30
FABP4 P15090 1/20 0.30
BLM P54132 1/20 0.30
FABP5 Q01469 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL10100102 0.92
SCHEMBL10100109 0.88
SCHEMBL10100092 0.86 KDM4E (0.34) KDM4ENPC1MAPTHDAC1HDAC2
SCHEMBL10100112 0.85
SCHEMBL10100095 0.83
SCHEMBL14319040 0.78 HDAC1 (0.36) KDM4ENPC1MAPTHDAC1HDAC2
SCHEMBL2744940 0.78 HDAC1 (0.34) KDM4ENPC1MAPTHDAC1HDAC2
SCHEMBL10100088 0.77 KDM4E (0.36) KDM4ENPC1MAPTHDAC1HDAC2
SCHEMBL10100105 0.77
SCHEMBL350856 0.76 ALDH1A1 (0.44) KDM4ENPC1MAPTHDAC1HDAC2

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-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-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed