SCHEMBL8520596

SCHEMBL8520596

C=CC(=O)OCCOCC(O)CN1C(=O)NC(=O)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.37
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MAPK1 P28482 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
SCHEMBL6013660 0.81 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21137124 0.72 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8518852 0.72 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11208622 0.71 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7267530 0.70 TSHR (0.62) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11385326 0.69 RAB9A (0.43) TSHRALDH1A1MMP2MAPK1
SCHEMBL4843885 0.69 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4850587 0.69 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12629198 0.68 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9418348 0.68 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10

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-5889074-A COATING WITH CURABLE POLYMER AND SILANE COUPLING AGENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-03-30 US disclosed
US-5717004-A COMPRISES ATLEAST TWO ACRYLOYL GROUP CONTAINING COMPOUNDS WHEREIN THE ACRYLOYL GROUP IS FLUOROACRYLOYL, METHACRYLOYL OR ACRYLOYL; HIGH MECHANICAL STRENGTH DAINIPPON INK & CHEMICALS, INC. (JP) 1998-02-10 US disclosed
EP-0435354-B1 Active energy ray-curable composition and applicable method DAINIPPON INK & CHEMICALS (JP) 1995-09-06 EP disclosed
EP-0435354-A2 Active energy ray-curable composition and applicable method DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-07-03 EP disclosed