SCHEMBL20183956

SCHEMBL20183956

C=CC(=O)OCC(COC(=O)C=C)N=C=S

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 2/20 0.31
TRPA1 O75762 1/20 0.30
MIF P14174 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
SCHEMBL1132132 0.83 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20183960 0.82 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20719906 0.74 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20183974 0.73 TSHR (0.53) TSHRALDH1A1THRB
SCHEMBL5162243 0.73 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20719907 0.71 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12701633 0.71 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20685509 0.70 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28770305 0.70 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22083641 0.70 TSHR (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647784-B2 Resin and surface protective plate or automotive material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-12 US disclosed
EP-3327052-B1 RESIN AND SURFACE PROTECTION PLATE OR AUTOMOTIVE MATERIAL SUMITOMO CHEMICAL CO (JP) 2020-03-04 EP disclosed
US-20180215837-A1 RESIN AND SURFACE PROTECTIVE PLATE OR AUTOMOTIVE MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-02 US disclosed
EP-3327052-A1 RESIN AND SURFACE PROTECTION PLATE OR AUTOMOTIVE MATERIAL Sumitomo Chemical Company, Ltd. (JP) 2018-05-30 EP disclosed