SCHEMBL5208212

SCHEMBL5208212

C=CC(=O)OCC1CSC(c2ccc(C3SCC(COC(=O)C=C)S3)cc2)S1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
TSHR P16473 5/20 0.32
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL6863500 0.94 MAPT (0.33) THRB
SCHEMBL6862965 0.94 GSK3B (0.32) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6860887 0.94 MAPT (0.36) THRBGABRPGABRDGABRA1GABRB1
SCHEMBL6856182 0.93 THRB (0.40) THRB
SCHEMBL6856677 0.91 CA1 (0.36) TSHRALDH1A1TP53HSD17B10KDM4E
SCHEMBL6861759 0.91 MGLL (0.39) THRB
SCHEMBL5208864 0.91 THRB (0.33) THRB
SCHEMBL6862800 0.90 SLC6A2 (0.34) ALDH1A1KDM4E
SCHEMBL5211705 0.89 THRB (0.37) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6863277 0.89 THRB (0.41) THRBALDH1A1LMNA

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