SCHEMBL5208412

SCHEMBL5208412

C=CC(=O)OCC1CSC(Cc2ccc(CC3SCC(COC(=O)C=C)S3)cc2)S1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.33
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
TSHR P16473 4/20 0.30
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5209402 0.90 THRB (0.33) THRB
SCHEMBL5206617 0.87 THRB (0.37) THRB
SCHEMBL14409303 0.84 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5209049 0.84 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5205204 0.84
SCHEMBL5204523 0.82 THRB (0.33) THRB
SCHEMBL5205460 0.82 HPGD (0.31)
SCHEMBL5208843 0.81 THRB (0.31) THRB
SCHEMBL5209736 0.80 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5204936 0.80 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4

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