SCHEMBL7990545

SCHEMBL7990545

C=C(C(=C)C(=O)OC)C(=O)NC(C)(C)C(=O)O.C=C(C)C(=O)OCCOC(=O)CC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 3/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL29497665 0.78 ALDH1A1 (0.56) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL15263096 0.77 THRB (0.57) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL62134 0.77 THRB (0.57) THRBALDH1A1TSHRPOLBAPEX1
Methacrylic Acid SCHEMBL25423390 0.75 THRB (0.52) THRBALDH1A1TSHRPOLBAPEX1
Methacrylic Acid SCHEMBL28060383 0.75 THRB (0.52) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL5969505 0.75 THRB (0.55) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL1024184 0.75 THRB (0.55) THRBALDH1A1TSHRPOLBAPEX1
Bromide SCHEMBL31560051 0.75 THRB (0.55) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL11658746 0.75 THRB (0.55) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL31310662 0.75 THRB (0.55) THRBALDH1A1TSHRPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087081-A USEFUL IN APPLICATIONS SUCH AS SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIALS, PAINTS AND VARNISHES AND ADHESIVES FUJI PHOTO FILM CO., LTD. (JP) 2000-07-11 US disclosed