SCHEMBL5210291

SCHEMBL5210291

C=CC(=O)OCC1CSC(c2cc3ccccc3cc2C2SCC(COC(=O)C=C)S2)S1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.90 THRB (0.38) THRBALDH1A1TP53CYP3A4KMT2A
SCHEMBL6860926 0.87 THRB (0.36) THRBKDM4EMEN1ALDH1A1EGFR
SCHEMBL6862987 0.87 PKM (0.34) THRBMEN1ALDH1A1TP53CYP3A4
SCHEMBL5208290 0.86 THRB (0.36) THRBALDH1A1MAPTKMT2A
SCHEMBL5209896 0.84 THRB (0.35) THRBMEN1MAPTKMT2A
SCHEMBL5208864 0.84 THRB (0.33) THRB
SCHEMBL6856182 0.84 THRB (0.40) THRB
SCHEMBL5211705 0.82 THRB (0.37) THRBALDH1A1TP53CYP3A4HSD17B10
SCHEMBL5206209 0.82 ALDH1A1 (0.37) ALDH1A1KMT2ATDP1
SCHEMBL5208212 0.82 THRB (0.34) THRBKDM4EALDH1A1TP53CYP3A4

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