SCHEMBL8610885

SCHEMBL8610885

C=CC(=O)OC(COC(=O)c1ccccc1C(=O)OCC(OC(=O)C=C)C(C)O)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 3/20 0.46
ADRB2 P07550 7/20 0.46
ADRB1 P08588 7/20 0.46
ADRB3 P13945 7/20 0.46
CA2 P00918 1/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL181429 0.84 TSHR (0.63) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL7550987 0.83 TSHR (0.58) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL35051 0.83 TSHR (0.54) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL223415 0.82 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL28071258 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL22471799 0.81 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL11062033 0.81 TSHR (0.54) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL28106733 0.80 TSHR (0.60) TSHRALDH1A1CYP3A4TDP1HSD17B10
SCHEMBL28432484 0.80 TSHR (0.50) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL19663974 0.80 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ADRB2ADRB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4481280-A Photosensitive polyamide resin composition TORAY INDUSTRIES, INC. (JP) 1984-11-06 US claimed
EP-0832144-A1 ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITIONS, A CURED ARTICLE AND AN OPTICAL LENS OBTAINED THEREFROM, AND NOVEL (METH)ACRYLATE COMPOUNDS THEREFOR U C B, S.A. (BE) 1998-04-01 EP disclosed
WO-1997000276-A1 ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITIONS, A CURED ARTICLE AND AN OPTICAL LENS OBTAINED THEREFROM, AND NOVEL (METH)ACRYLATE COMPOUNDS THEREFOR UCB, S.A. (BE) 1997-01-03 WO disclosed
US-4481280-A Photosensitive polyamide resin composition TORAY INDUSTRIES, INC. (JP) 1984-11-06 US disclosed
US-4464456-A FLEXOGRAPHIC PRINTING PLATES DEVELOPABLE IN WATER OR ALCOHOL TORAY INDUSTRIES, INC. (JP) 1984-08-07 US disclosed
EP-0036301-A1 Photosensitive polyamide resin composition TORAY INDUSTRIES, INC. (JP) 1981-09-23 EP disclosed