SCHEMBL28111184

SCHEMBL28111184

C=CC(=O)OCCc1cccc(N)c1CCOC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
TSHR P16473 7/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.40
HCAR2 Q8TDS4 1/20 0.38
HPGD P15428 2/20 0.37
ALOX5 P09917 4/20 0.36
AKR1B10 O60218 3/20 0.36
AKR1B1 P15121 3/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 1/20 0.35

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
SCHEMBL8038786 0.86 THRB (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27788290 0.77 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL3691364 0.76 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL961691 0.76 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL27808631 0.76 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8038187 0.75 ALDH1A1 (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL961984 0.75 THRB (0.57) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL30775445 0.75 THRB (0.57) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28338758 0.75 THRB (0.57) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29619581 0.75 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A

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
CN-106199806-A Polarizer and the display device comprising it 三星SDI株式会社 2016-12-07 CN disclosed