SCHEMBL5209896

SCHEMBL5209896

C=CC(=O)OCC1CSC(c2ccccc2Oc2ccccc2C2SCC(COC(=O)C=C)S2)S1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.31
THRA P10827 1/20 0.30
MAPT P10636 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
SCHEMBL5209268 0.91 THRB (0.38) THRBKMT2ALMNA
SCHEMBL5208290 0.88 THRB (0.36) THRBKMT2ALMNAMAPT
SCHEMBL5210291 0.84 THRB (0.38) THRBMEN1KMT2AMAPT
SCHEMBL6862987 0.84 PKM (0.34) THRBMEN1KMT2ALMNAMAPT
SCHEMBL6856182 0.83 THRB (0.40) THRBTHRA
SCHEMBL5204761 0.82 ALDH1A1 (0.36) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL5208212 0.81 THRB (0.34) THRBLMNA
SCHEMBL5209563 0.80 LMNA (0.31) LMNA
SCHEMBL6863277 0.79 THRB (0.41) THRBLMNAMAPT
SCHEMBL5211705 0.79 THRB (0.37) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388540-B1 ACRYLIC ESTERS AND USE THEREOF MITSUI CHEMICALS INC (JP) 2007-09-05 EP disclosed
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP disclosed